A0A087XYB6_POEFO Loading...

Isocitrate dehydrogenase [NAD] subunit, mitochondrial

Regulatory subunit which plays a role in the allosteric regulation of the enzyme catalyzing the decarboxylation of isocitrate (ICT) into alpha-ketoglutarate. The heterodimer composed of the alpha (IDH3A) and beta (IDH3B) subunits and the heterodimer composed of the alpha (IDH3A) and gamma (IDH3G) subunits, have considerable basal activity but the full activity of the heterotetramer (containing two subunits of IDH3A, one of IDH3B and one of IDH3G) requires the assembly and cooperative function of both heterodimers.

AlphaFold DB , UniProt , Accession A0A087XYB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.2Very low78.8Confident245 Ų245104.9 Ų104.9100%1.20759%0.586SS**  0130.30-92.5175.9173.300108.2
2K58.2Low80.3Confident122 Ų12297.7 Ų97.753%0.5354%0.544SS..PPolyproline II helixtrans-81.8131.6175.1-167.8-176.3175.6-161.20108.3A260K2-A260 HydrophobicContact CD-CB 4.35Å; K2-A260 PolarHBondContact NZ-O 2.68Å
3P66.5Low81.7Confident87 Ų8793.3 Ų93.357%0.56552%0.521SS*.PPolyproline II helixtrans-60.3145.7175.124.4-31.8000110
4P74.8Confident82.8Confident96 Ų9686.6 Ų86.662%0.62348%0.484SS*.PPolyproline II helixtrans-61.3152.2176.826.8-33.3000110.2
5P76.3Confident83.9Confident92 Ų9280.9 Ų80.960%0.59745%0.452SS*.PPolyproline II helixtrans-52.1143.6171.9-2231.9000110.5K7P5-K7 PolarHBondContact O-N 2.86Å
6A88.4Confident84.8Confident10 Ų1076.1 Ų76.18%0.08343%0.425CS..SBendtrans-68.578-178.200000111.1Y8 T13A6-Y8 HydrophobicContact CB-CE2 4.42Å; A6-T13 PolarHBondContact O-N 3.03Å
7K92.1Very high85.5Confident103 Ų10371.6 Ų71.645%0.44840%0.4SS..EExtended strand (participates in β ladder)trans-125.1110178.7-174.1-176.1-173.8151.40109.6P5 R11 H12P5-K7 PolarHBondContact O-N 2.86Å; K7-R11 VanDerWaalsContact CA-O 3.25Å; K7-R11 WeakPolarHBondContact CA-O 3.47Å; K7-H12 WeakPolarHBondContact CE-NE2 3.44Å; K7-H12 PolarHBondContact NZ-NE2 3.06Å
8Y89.4Confident86.1Confident171 Ų17168.6 Ų68.667%0.67138%0.384SS*.EExtended strand (participates in β ladder)trans-131.4134-179.6-57.2-78.1000109.2A6 G10 R11A6-Y8 HydrophobicContact CB-CE2 4.42Å; Y8-G10 PolarHBondContact O-N 3.11Å; Y8-R11 PolarHBondContact N-O 2.95Å; Y8-R11 VanDerWaalsContact N-O 3.08Å; Y8-R11 PolarHBondContact O-N 3.11Å; Y8-R11 VanDerWaalsContact O-N 3.11Å
9G88.6Confident86.5Confident88 Ų8865.4 Ų65.491%0.90737%0.368SS*.THydrogen-bonded Turntrans59.630.2-179.100000114.4R11G9-R11 PolarHBondContact O-N 2.76Å
10G90.1Very high86.8Confident43 Ų4362.9 Ų62.944%0.44335%0.354SS..THydrogen-bonded Turntrans80.7-7-178.200000115.2Y8Y8-G10 PolarHBondContact O-N 3.11Å
11R95.4Very high87.2Confident97 Ų9761.1 Ų61.137%0.36635%0.35SS..EExtended strand (participates in β ladder)trans-99.5140.2-179.5-56.6-177.665.476.64.2111.4K7 Y8 G9 P40 V41 D42K7-R11 VanDerWaalsContact CA-O 3.25Å; K7-R11 WeakPolarHBondContact CA-O 3.47Å; Y8-R11 PolarHBondContact N-O 2.95Å; Y8-R11 VanDerWaalsContact N-O 3.08Å; Y8-R11 PolarHBondContact O-N 3.11Å; Y8-R11 VanDerWaalsContact O-N 3.11Å; G9-R11 PolarHBondContact O-N 2.76Å; R11-P40 CarbonylContact C-O 3.31Å; R11-P40 WeakPolarHBondContact CA-O 3.41Å; R11-P40 HydrophobicContact CG-CB 4.26Å; R11-V41 PolarHBondContact NH2-O 3.21Å; R11-D42 IonicContact CZ-OD1 3.72Å; R11-D42 IonicContact CZ-OD2 2.68Å; R11-D42 IonicContact NE-OD1 2.87Å; R11-D42 PolarHBondContact NE-OD1 3.45Å; R11-D42 IonicContact NE-OD2 2.78Å; R11-D42 PolarHBondContact NE-OD2 3.48Å; R11-D42 IonicContact NH2-OD1 3.69Å; R11-D42 PolarHBondContact NH2-OD1 2.67Å; R11-D42 IonicContact NH2-OD2 3.55Å
12H96.9Very high89.5Confident18 Ų1850.9 Ų50.98%0.08330%0.299CS..EExtended strand (participates in β ladder)trans-98129.2177.9-67.5-101.7000110.4K7 P40 V41 D42 L297K7-H12 WeakPolarHBondContact CE-NE2 3.44Å; K7-H12 PolarHBondContact NZ-NE2 3.06Å; H12-P40 PolarHBondContact N-O 2.95Å; H12-V41 HydrophobicContact CB-CG2 4.4Å; H12-V41 CarbonylContact O-C 3.51Å; H12-V41 VanDerWaalsContact O-CA 3.32Å; H12-V41 WeakPolarHBondContact O-CA 3.48Å; H12-D42 PolarHBondContact O-N 3.26Å; H12-L297 HydrophobicContact CB-CD1 4.23Å; H12-L297 HydrophobicContact CB-CD2 4.5Å
13T97.8Very high91.2Very high41 Ų4145.2 Ų45.225%0.25228%0.275SS..EExtended strand (participates in β ladder)trans-84.4127.3167-51.10000109.5A6 D42 E44A6-T13 PolarHBondContact O-N 3.03Å; T13-D42 CarbonylContact C-O 3.53Å; T13-D42 WeakPolarHBondContact CA-O 3.5Å; T13-E44 HydrophobicContact CG2-CB 4.06Å
14V98.1Very high92.6Very high0 Ų044 Ų440%027%0.268CS..EExtended strand (participates in β ladder)trans-125.2134-179.71740000109.3L16 V41 D42 F43 E44 V70 M293 L297V14-L16 PolarHBondContact O-N 2.98Å; V14-V41 HydrophobicContact CB-CG1 4.11Å; V14-V41 HydrophobicContact CG2-CG1 3.82Å; V14-D42 PolarHBondContact N-O 2.97Å; V14-F43 HydrophobicContact CB-CD1 4.12Å; V14-F43 HydrophobicContact CB-CE1 4.23Å; V14-F43 HydrophobicContact CG1-CD1 4.2Å; V14-F43 HydrophobicContact CG1-CE1 4.09Å; V14-F43 WeakPolarHBondContact O-CA 3.16Å; V14-E44 PolarHBondContact O-N 3.48Å; V14-V70 HydrophobicContact CG1-CG1 4.25Å; V14-V70 HydrophobicContact CG2-CG1 4.43Å; V14-M293 HydrophobicContact CG1-SD 3.64Å; V14-M293 HydrophobicContact CG2-SD 4.32Å; V14-L297 HydrophobicContact CG2-CD1 3.95Å
15T98.3Very high93.7Very high0 Ų041 Ų410%025%0.245CC..EExtended strand (participates in β ladder)trans-71.1126.9173.8-56.90000110.1I17 E44 V46 A64 I65 N68 V70 A71 L72T15-I17 HydrophobicContact CG2-CG1 4.09Å; T15-E44 CarbonylContact C-O 3.55Å; T15-E44 WeakPolarHBondContact CA-O 3.41Å; T15-V46 HydrophobicContact CG2-CB 4.3Å; T15-V46 HydrophobicContact CG2-CG2 3.91Å; T15-A64 HydrophobicContact CG2-CB 3.87Å; T15-A64 VanDerWaalsContact OG1-C 3.3Å; T15-A64 PolarHBondContact OG1-O 3.11Å; T15-I65 HydrophobicContact CG2-CG1 4.04Å; T15-N68 PolarHBondContact OG1-ND2 3.29Å; T15-V70 PolarHBondContact N-O 2.83Å; T15-V70 VanDerWaalsContact N-O 3.09Å; T15-A71 CarbonylContact O-C 3.58Å; T15-A71 WeakPolarHBondContact O-CA 3.36Å; T15-L72 PolarHBondContact O-N 2.83Å
16L98.3Very high94.7Very high4 Ų436.9 Ų36.92%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-110.4120.4175.7-170.475.4000109.5V14 P18 L27 R31 F43 E44 V45 V46 L72V14-L16 PolarHBondContact O-N 2.98Å; L16-P18 WeakPolarHBondContact O-CD 3.11Å; L16-L27 HydrophobicContact CD1-CB 4.31Å; L16-L27 HydrophobicContact CD1-CD1 4.14Å; L16-L27 HydrophobicContact CD1-CD2 3.84Å; L16-L27 HydrophobicContact CD1-CG 4.32Å; L16-L27 HydrophobicContact CG-CD1 4.42Å; L16-R31 HydrophobicContact CD2-CG 4.12Å; L16-F43 HydrophobicContact CB-CB 4.02Å; L16-F43 HydrophobicContact CB-CD1 3.88Å; L16-F43 HydrophobicContact CB-CG 4.23Å; L16-F43 HydrophobicContact CD1-CD1 3.87Å; L16-F43 HydrophobicContact CD1-CE1 4Å; L16-F43 HydrophobicContact CD1-CG 4.41Å; L16-F43 HydrophobicContact CD2-CB 4.2Å; L16-F43 HydrophobicContact CD2-CD1 4.49Å; L16-F43 HydrophobicContact CD2-CG 4.27Å; L16-F43 HydrophobicContact CG-CD1 4.31Å; L16-E44 PolarHBondContact N-O 3.33Å; L16-V45 HydrophobicContact CB-CG2 4.47Å; L16-V45 HydrophobicContact CD2-CG2 4.12Å; L16-V45 WeakPolarHBondContact O-CA 3.35Å; L16-V46 PolarHBondContact O-N 2.89Å; L16-L72 WeakPolarHBondContact CA-O 3.49Å; L16-L72 HydrophobicContact CD1-CB 4.04Å; L16-L72 HydrophobicContact CD1-CD2 3.97Å; L16-L72 HydrophobicContact CD1-CG 4.18Å
17I97.3Very high95.1Very high1 Ų136.5 Ų36.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-113.2102.9177.7-55.2174000108.8T15 G19 L27 V46 V48 A61 I65 L72 K73 G74 I76T15-I17 HydrophobicContact CG2-CG1 4.09Å; I17-G19 VanDerWaalsContact C-N 3.3Å; I17-G19 PolarHBondContact O-N 2.89Å; I17-L27 WeakPolarHBondContact O-CD1 3.38Å; I17-V46 WeakPolarHBondContact CA-O 3.38Å; I17-V48 HydrophobicContact CG2-CB 3.87Å; I17-V48 HydrophobicContact CG2-CG2 4.22Å; I17-A61 HydrophobicContact CD1-CB 3.93Å; I17-I65 HydrophobicContact CD1-CD1 4.15Å; I17-L72 PolarHBondContact N-O 3.35Å; I17-K73 HydrophobicContact CB-CB 3.89Å; I17-K73 CarbonylContact O-C 3.53Å; I17-K73 VanDerWaalsContact O-CA 3.29Å; I17-K73 WeakPolarHBondContact O-CA 3.47Å; I17-G74 PolarHBondContact O-N 3.48Å; I17-I76 HydrophobicContact CG2-CD1 4.42Å
18P95.8Very high95.4Very high17 Ų1734.8 Ų34.811%0.1122%0.216CC..  trans-56.1-39.3-177.3-3037.9000114.4L16 G23 P24 V45 V46 G74L16-P18 WeakPolarHBondContact O-CD 3.11Å; P18-G23 CarbonylContact O-C 3.27Å; P18-G23 VanDerWaalsContact O-C 3.27Å; P18-G23 VanDerWaalsContact O-CA 3.25Å; P18-G23 WeakPolarHBondContact O-CA 3.35Å; P18-P24 HydrophobicContact CB-CB 4.4Å; P18-P24 HydrophobicContact CB-CG 4.08Å; P18-V45 HydrophobicContact CG-CG1 3.94Å; P18-V46 WeakPolarHBondContact CD-O 2.96Å; P18-G74 WeakPolarHBondContact O-CA 3.27Å
19G93.8Very high95.8Very high8 Ų827.9 Ų27.98%0.08219%0.19CC..  trans71.4-156.9-176.300000113.3I17 V48I17-G19 VanDerWaalsContact C-N 3.3Å; I17-G19 PolarHBondContact O-N 2.89Å; G19-V48 WeakPolarHBondContact CA-O 3.33Å
20D93.3Very high96.2Very high15 Ų1523.8 Ų23.88%0.0815%0.147CC..SBendtrans-103.7167.2-178.9-63.2-78.7000112.5I22 G23 N49 S50 N75 I76 E77 T271D20-I22 PolarHBondContact O-N 3.41Å; D20-G23 PolarHBondContact O-N 3.37Å; D20-G23 VanDerWaalsContact O-N 3.16Å; D20-N49 WeakPolarHBondContact OD1-CB 3.48Å; D20-S50 VanDerWaalsContact CG-N 3.33Å; D20-S50 VanDerWaalsContact CG-OG 3.23Å; D20-S50 WeakPolarHBondContact OD1-CB 3.4Å; D20-S50 PolarHBondContact OD1-N 3.24Å; D20-S50 PolarHBondContact OD1-OG 3.39Å; D20-S50 WeakPolarHBondContact OD2-CB 3.29Å; D20-S50 PolarHBondContact OD2-N 3.2Å; D20-S50 PolarHBondContact OD2-OG 2.89Å; D20-N75 PolarHBondContact N-O 2.97Å; D20-I76 WeakPolarHBondContact OD2-CA 3.4Å; D20-E77 PolarHBondContact OD2-N 3.23Å; D20-T271 HydrophobicContact CB-CG2 4.3Å
21G94Very high96.6Very high26 Ų2627.6 Ų27.627%0.26815%0.148SC..THydrogen-bonded Turntrans64.5-122.8169.800000113G23 P24 T271G21-G23 PolarHBondContact O-N 3.42Å; G21-P24 WeakPolarHBondContact O-CD 3.39Å; G21-T271 CarbonylContact C-O 3.57Å; G21-T271 VanDerWaalsContact CA-O 3.3Å; G21-T271 WeakPolarHBondContact CA-O 3.43Å
22I95.4Very high96.7Very high29 Ų2927.2 Ų27.215%0.14915%0.15CC..THydrogen-bonded Turntrans-76.2-9.3179.166.9-179.2000113.2D20 E25 L26 T271 G272 V275 A276 A281D20-I22 PolarHBondContact O-N 3.41Å; I22-E25 HydrophobicContact CB-CG 4.16Å; I22-E25 WeakPolarHBondContact CB-OE1 3.46Å; I22-E25 WeakPolarHBondContact CG2-OE1 3.3Å; I22-E25 WeakPolarHBondContact O-CG 3.18Å; I22-E25 PolarHBondContact O-N 3.36Å; I22-L26 HydrophobicContact CB-CD1 4.49Å; I22-L26 HydrophobicContact CB-CG 4.42Å; I22-L26 HydrophobicContact CD1-CD1 3.83Å; I22-L26 HydrophobicContact CG1-CD1 4Å; I22-L26 HydrophobicContact CG1-CG 4.43Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.21Å; I22-L26 VanDerWaalsContact O-N 3.11Å; I22-T271 PolarHBondContact N-O 3.18Å; I22-G272 WeakPolarHBondContact CG2-O 3.3Å; I22-V275 HydrophobicContact CG2-CG2 3.77Å; I22-A276 HydrophobicContact CG2-CB 4.18Å; I22-A281 HydrophobicContact CB-CB 4.02Å; I22-A281 HydrophobicContact CD1-CB 4.16Å; I22-A281 HydrophobicContact CG2-CB 3.79Å
23G95.6Very high96.8Very high3 Ų326.3 Ų26.33%0.03115%0.146CC..Hα-helixtrans-54.3-50.4-176.100000114.2P18 D20 G21 E25 L26 L27P18-G23 CarbonylContact O-C 3.27Å; P18-G23 VanDerWaalsContact O-C 3.27Å; P18-G23 VanDerWaalsContact O-CA 3.25Å; P18-G23 WeakPolarHBondContact O-CA 3.35Å; D20-G23 PolarHBondContact O-N 3.37Å; D20-G23 VanDerWaalsContact O-N 3.16Å; G21-G23 PolarHBondContact O-N 3.42Å; G23-E25 PolarHBondContact O-N 3.29Å; G23-L26 PolarHBondContact O-N 3.43Å; G23-L27 WeakPolarHBondContact O-CB 3.34Å; G23-L27 WeakPolarHBondContact O-CG 3.29Å; G23-L27 PolarHBondContact O-N 2.98Å
24P96Very high96.8Very high62 Ų6224.7 Ų24.740%0.40314%0.135SC..Hα-helixtrans-58.5-43.8178.6-27.435.9000114.7P18 G21 S28P18-P24 HydrophobicContact CB-CB 4.4Å; P18-P24 HydrophobicContact CB-CG 4.08Å; G21-P24 WeakPolarHBondContact O-CD 3.39Å; P24-S28 WeakPolarHBondContact O-CB 3.41Å; P24-S28 PolarHBondContact O-N 3.47Å
25E96.3Very high96.7Very high33 Ų3335 Ų3515%0.15417%0.174CC..Hα-helixtrans-66.1-46.9178.955.4179-152.200111.3I22 G23 L27 S28 H29 G277 A281I22-E25 HydrophobicContact CB-CG 4.16Å; I22-E25 WeakPolarHBondContact CB-OE1 3.46Å; I22-E25 WeakPolarHBondContact CG2-OE1 3.3Å; I22-E25 WeakPolarHBondContact O-CG 3.18Å; I22-E25 PolarHBondContact O-N 3.36Å; G23-E25 PolarHBondContact O-N 3.29Å; E25-L27 PolarHBondContact O-N 2.73Å; E25-S28 WeakPolarHBondContact O-CB 3.47Å; E25-S28 PolarHBondContact O-N 3.32Å; E25-H29 PolarHBondContact O-CD2 3.01Å; E25-H29 PolarHBondContact O-N 2.89Å; E25-H29 VanDerWaalsContact O-N 3.16Å; E25-G277 WeakPolarHBondContact OE2-CA 3.41Å; E25-G277 PolarHBondContact OE2-N 2.56Å; E25-A281 WeakPolarHBondContact OE1-CB 3.46Å
26L97.3Very high96.7Very high6 Ų639.1 Ų39.13%0.03119%0.193CC..Hα-helixtrans-66-42.4-178.1-64.6-169.8000112I22 G23 S28 H29 V30 A281 P283 M286 T330I22-L26 HydrophobicContact CB-CD1 4.49Å; I22-L26 HydrophobicContact CB-CG 4.42Å; I22-L26 HydrophobicContact CD1-CD1 3.83Å; I22-L26 HydrophobicContact CG1-CD1 4Å; I22-L26 HydrophobicContact CG1-CG 4.43Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.21Å; I22-L26 VanDerWaalsContact O-N 3.11Å; G23-L26 PolarHBondContact O-N 3.43Å; L26-S28 VanDerWaalsContact C-N 3.33Å; L26-H29 PolarHBondContact O-N 3.35Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.2Å; L26-A281 HydrophobicContact CD2-CB 4.05Å; L26-P283 HydrophobicContact CD2-CB 4Å; L26-M286 HydrophobicContact CB-CB 4.22Å; L26-M286 HydrophobicContact CB-CG 4.22Å; L26-M286 HydrophobicContact CD1-CB 4.21Å; L26-T330 HydrophobicContact CD2-CG2 3.88Å
27L97.4Very high96.6Very high2 Ų239.5 Ų39.51%0.0120%0.196CC..Hα-helixtrans-71.4-28.9178.8-70.3174000112.4L16 I17 G23 E25 V30 R31 L72 M286L16-L27 HydrophobicContact CD1-CB 4.31Å; L16-L27 HydrophobicContact CD1-CD1 4.14Å; L16-L27 HydrophobicContact CD1-CD2 3.84Å; L16-L27 HydrophobicContact CD1-CG 4.32Å; L16-L27 HydrophobicContact CG-CD1 4.42Å; I17-L27 WeakPolarHBondContact O-CD1 3.38Å; G23-L27 WeakPolarHBondContact O-CB 3.34Å; G23-L27 WeakPolarHBondContact O-CG 3.29Å; G23-L27 PolarHBondContact O-N 2.98Å; E25-L27 PolarHBondContact O-N 2.73Å; L27-V30 PolarHBondContact O-N 2.61Å; L27-R31 WeakPolarHBondContact O-CG 3.36Å; L27-R31 PolarHBondContact O-N 3.4Å; L27-R31 VanDerWaalsContact O-N 3.08Å; L27-L72 HydrophobicContact CD2-CD2 3.58Å; L27-L72 HydrophobicContact CD2-CG 3.68Å; L27-M286 HydrophobicContact CD2-CE 3.98Å; L27-M286 HydrophobicContact CD2-CG 3.84Å; L27-M286 HydrophobicContact CD2-SD 3.59Å; L27-M286 VanDerWaalsContact CD2-SD 3.59Å; L27-M286 HydrophobicContact CG-CE 4.23Å; L27-M286 HydrophobicContact CG-SD 4.44Å
28S97.8Very high96.5Very high66 Ų6644 Ų4446%0.46223%0.226SC..Hα-helixtrans-61-45.4169.3-171.30000111.1P24 E25 L26 V30 R31 E32P24-S28 WeakPolarHBondContact O-CB 3.41Å; P24-S28 PolarHBondContact O-N 3.47Å; E25-S28 WeakPolarHBondContact O-CB 3.47Å; E25-S28 PolarHBondContact O-N 3.32Å; L26-S28 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.2Å; S28-R31 WeakPolarHBondContact O-CB 3.43Å; S28-R31 PolarHBondContact O-N 2.89Å; S28-E32 PolarHBondContact O-N 3.13Å
29H98.1Very high96.6Very high27 Ų2743.4 Ų43.413%0.12522%0.222CC..Hα-helixtrans-66.1-35175.7-69.9-54.5000113.4E25 L26 R31 E32 V33 V334E25-H29 PolarHBondContact O-CD2 3.01Å; E25-H29 PolarHBondContact O-N 2.89Å; E25-H29 VanDerWaalsContact O-N 3.16Å; L26-H29 PolarHBondContact O-N 3.35Å; H29-R31 VanDerWaalsContact C-N 3.31Å; H29-R31 PolarHBondContact O-N 3.06Å; H29-E32 IonicContact ND1-OE2 3.57Å; H29-E32 PolarHBondContact ND1-OE2 3.02Å; H29-E32 WeakPolarHBondContact O-CB 3.42Å; H29-E32 PolarHBondContact O-N 3.42Å; H29-V33 WeakPolarHBondContact O-CG2 3.23Å; H29-V33 PolarHBondContact O-N 3.29Å; H29-V334 HydrophobicContact CB-CG1 4.18Å; H29-V334 HydrophobicContact CB-CG2 3.74Å
30V98.3Very high96.7Very high1 Ų144 Ų441%0.00622%0.224CC..Hα-helixtrans-58.8-45.2171.4173.30000110.6L26 L27 S28 E32 V33 F34 F43 L72 M286 L287L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.2Å; L27-V30 PolarHBondContact O-N 2.61Å; S28-V30 PolarHBondContact O-N 3.2Å; V30-E32 VanDerWaalsContact C-N 3.3Å; V30-E32 PolarHBondContact O-N 2.91Å; V30-V33 PolarHBondContact O-N 2.92Å; V30-F34 HydrophobicContact CG1-CD1 3.84Å; V30-F34 HydrophobicContact CG1-CE1 3.77Å; V30-F34 HydrophobicContact CG1-CG 4.4Å; V30-F34 HydrophobicContact CG1-CZ 4.25Å; V30-F34 WeakPolarHBondContact O-CB 3.37Å; V30-F34 VanDerWaalsContact O-CD1 3.23Å; V30-F34 WeakPolarHBondContact O-CD1 3.45Å; V30-F34 WeakPolarHBondContact O-CG 3.15Å; V30-F34 PolarHBondContact O-N 3.14Å; V30-F43 HydrophobicContact CG1-CZ 4.43Å; V30-L72 HydrophobicContact CG1-CD2 3.86Å; V30-M286 HydrophobicContact CG2-CG 3.78Å; V30-L287 HydrophobicContact CG2-CD2 4.09Å
31R98.1Very high96.9Very high123 Ų12343.8 Ų43.846%0.46422%0.223SC..Hα-helixtrans-61.3-40.3177.3-67.517367.9-166.91.4111.9L16 L27 S28 H29 F34 R35 F43L16-R31 HydrophobicContact CD2-CG 4.12Å; L27-R31 WeakPolarHBondContact O-CG 3.36Å; L27-R31 PolarHBondContact O-N 3.4Å; L27-R31 VanDerWaalsContact O-N 3.08Å; S28-R31 WeakPolarHBondContact O-CB 3.43Å; S28-R31 PolarHBondContact O-N 2.89Å; H29-R31 VanDerWaalsContact C-N 3.31Å; H29-R31 PolarHBondContact O-N 3.06Å; R31-F34 PolarHBondContact O-N 2.91Å; R31-R35 WeakPolarHBondContact O-CB 3.46Å; R31-R35 PolarHBondContact O-N 3.41Å; R31-F43 HydrophobicContact CG-CD2 3.69Å; R31-F43 HydrophobicContact CG-CE2 3.95Å; R31-F43 HydrophobicContact CG-CG 4.48Å
32E97.8Very high97.1Very high89 Ų8945.8 Ų45.842%0.41623%0.228SC..Hα-helixtrans-61.3-51.6176.5-172.8-179.5-172.100111.4S28 H29 V30 F34 R35 F36 M338S28-E32 PolarHBondContact O-N 3.13Å; H29-E32 IonicContact ND1-OE2 3.57Å; H29-E32 PolarHBondContact ND1-OE2 3.02Å; H29-E32 WeakPolarHBondContact O-CB 3.42Å; H29-E32 PolarHBondContact O-N 3.42Å; V30-E32 VanDerWaalsContact C-N 3.3Å; V30-E32 PolarHBondContact O-N 2.91Å; E32-F34 VanDerWaalsContact C-N 3.32Å; E32-F34 PolarHBondContact O-N 3.4Å; E32-R35 PolarHBondContact O-N 2.93Å; E32-F36 WeakPolarHBondContact O-CB 3.48Å; E32-F36 PolarHBondContact O-N 3.44Å; E32-M338 HydrophobicContact CG-CE 4.44Å; E32-M338 HydrophobicContact CG-SD 4.14Å
33V98.1Very high97.2Very high0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-61.8-39.6177.4173.60000111.6H29 V30 F36 S37 L287 I306 V334 M338 I341H29-V33 WeakPolarHBondContact O-CG2 3.23Å; H29-V33 PolarHBondContact O-N 3.29Å; V30-V33 PolarHBondContact O-N 2.92Å; V33-F36 PolarHBondContact O-N 3.4Å; V33-S37 WeakPolarHBondContact O-CB 3.36Å; V33-S37 PolarHBondContact O-N 2.96Å; V33-S37 PolarHBondContact O-OG 3.48Å; V33-L287 HydrophobicContact CB-CD2 4.4Å; V33-L287 HydrophobicContact CG2-CD2 4.18Å; V33-I306 HydrophobicContact CG1-CD1 4.2Å; V33-I306 HydrophobicContact CG1-CG1 4.23Å; V33-I306 HydrophobicContact CG1-CG2 4.13Å; V33-V334 HydrophobicContact CG2-CG1 3.83Å; V33-M338 HydrophobicContact CG2-CG 4.16Å; V33-I341 HydrophobicContact CG1-CD1 4.14Å
34F97.9Very high97.3Very high6 Ų648.8 Ų48.83%0.02624%0.24CC..Hα-helixtrans-66-42.2178.2-87.840.5000111.8V30 R31 E32 S37 C38 V39 V41 F43 S290 M293 L294 I306V30-F34 HydrophobicContact CG1-CD1 3.84Å; V30-F34 HydrophobicContact CG1-CE1 3.77Å; V30-F34 HydrophobicContact CG1-CG 4.4Å; V30-F34 HydrophobicContact CG1-CZ 4.25Å; V30-F34 WeakPolarHBondContact O-CB 3.37Å; V30-F34 VanDerWaalsContact O-CD1 3.23Å; V30-F34 WeakPolarHBondContact O-CD1 3.45Å; V30-F34 WeakPolarHBondContact O-CG 3.15Å; V30-F34 PolarHBondContact O-N 3.14Å; R31-F34 PolarHBondContact O-N 2.91Å; E32-F34 VanDerWaalsContact C-N 3.32Å; E32-F34 PolarHBondContact O-N 3.4Å; F34-S37 PolarHBondContact O-N 3.13Å; F34-C38 PolarHBondContact O-N 3.24Å; F34-V39 HydrophobicContact CB-CB 4.19Å; F34-V39 HydrophobicContact CB-CG2 4.2Å; F34-V39 HydrophobicContact CD1-CG2 4.41Å; F34-V39 HydrophobicContact CD2-CB 3.99Å; F34-V39 HydrophobicContact CD2-CG1 3.79Å; F34-V39 HydrophobicContact CD2-CG2 4.27Å; F34-V39 HydrophobicContact CE2-CG1 4Å; F34-V39 HydrophobicContact CG-CB 4.16Å; F34-V39 HydrophobicContact CG-CG1 4.4Å; F34-V39 HydrophobicContact CG-CG2 4.06Å; F34-V39 PolarHBondContact O-N 3.45Å; F34-V41 HydrophobicContact CD2-CB 4.19Å; F34-V41 HydrophobicContact CD2-CG1 4.37Å; F34-V41 HydrophobicContact CE2-CB 4.37Å; F34-V41 HydrophobicContact CE2-CG1 4.41Å; F34-V41 HydrophobicContact CE2-CG2 4.45Å; F34-F43 HydrophobicContact CB-CE2 4.44Å; F34-F43 AromaticContact CD2-CE2 3.75Å; F34-F43 HydrophobicContact CD2-CE2 3.75Å; F34-F43 AromaticContact CD2-CZ 3.69Å; F34-F43 HydrophobicContact CD2-CZ 3.69Å; F34-F43 HydrophobicContact CE2-CE2 4.35Å; F34-F43 AromaticContact CE2-CZ 3.81Å; F34-F43 HydrophobicContact CE2-CZ 3.81Å; F34-F43 HydrophobicContact CG-CE2 4.26Å; F34-F43 HydrophobicContact CG-CZ 4.44Å; F34-S290 WeakPolarHBondContact CE1-OG 3.18Å; F34-M293 HydrophobicContact CE2-CE 3.57Å; F34-M293 HydrophobicContact CZ-CE 3.84Å; F34-L294 HydrophobicContact CE1-CD1 4.17Å; F34-L294 HydrophobicContact CE2-CD1 4.35Å; F34-L294 HydrophobicContact CE2-CD2 3.84Å; F34-L294 HydrophobicContact CE2-CG 4.25Å; F34-L294 HydrophobicContact CZ-CD1 3.72Å; F34-L294 HydrophobicContact CZ-CD2 3.97Å; F34-L294 HydrophobicContact CZ-CG 3.84Å; F34-I306 HydrophobicContact CD1-CD1 4.01Å; F34-I306 HydrophobicContact CE1-CD1 3.86Å
35R97.3Very high97.4Very high217 Ų21748.4 Ų48.482%0.81924%0.237SC*.Hα-helixtrans-63.6-47174.7-178.7-178.5176.8-179.7-0.4110.9R31 E32 S37 C38R31-R35 WeakPolarHBondContact O-CB 3.46Å; R31-R35 PolarHBondContact O-N 3.41Å; E32-R35 PolarHBondContact O-N 2.93Å; R35-S37 VanDerWaalsContact C-N 3.28Å; R35-S37 PolarHBondContact O-N 2.92Å; R35-C38 PolarHBondContact O-N 3.15Å
36F97.1Very high97.3Very high87 Ų8747.7 Ų47.738%0.38223%0.234SC..Hα-helixtrans-59.4-39.7178.6-177.5-95.3000112E32 V33 C38 M338 I341 Q342E32-F36 WeakPolarHBondContact O-CB 3.48Å; E32-F36 PolarHBondContact O-N 3.44Å; V33-F36 PolarHBondContact O-N 3.4Å; F36-C38 VanDerWaalsContact C-N 3.27Å; F36-C38 PolarHBondContact O-N 3.46Å; F36-M338 HydrophobicContact CB-CG 4.4Å; F36-M338 HydrophobicContact CB-SD 3.93Å; F36-M338 HydrophobicContact CD1-CB 4Å; F36-M338 HydrophobicContact CD1-CG 3.97Å; F36-M338 HydrophobicContact CD1-SD 4.41Å; F36-M338 HydrophobicContact CD2-SD 4.14Å; F36-M338 HydrophobicContact CE1-CB 3.95Å; F36-M338 HydrophobicContact CE1-CG 4.44Å; F36-M338 VanDerWaalsContact CE1-O 3.29Å; F36-M338 WeakPolarHBondContact CE1-O 3.38Å; F36-M338 HydrophobicContact CG-CB 4.34Å; F36-M338 HydrophobicContact CG-CG 4.07Å; F36-M338 HydrophobicContact CG-SD 3.9Å; F36-M338 HydrophobicContact CZ-CB 4.26Å; F36-I341 HydrophobicContact CD1-CG2 4.22Å; F36-I341 HydrophobicContact CE1-CB 4.17Å; F36-I341 HydrophobicContact CE1-CG2 3.98Å; F36-Q342 HydrophobicContact CE1-CB 4.42Å; F36-Q342 HydrophobicContact CZ-CB 4.06Å; F36-Q342 HydrophobicContact CZ-CG 4.5Å
37S95.7Very high97.1Very high12 Ų1253 Ų538%0.08426%0.259CS..THydrogen-bonded Turntrans-87.69.8-178.7-44.90000113.4V33 F34 R35 V39 Y302 I341V33-S37 WeakPolarHBondContact O-CB 3.36Å; V33-S37 PolarHBondContact O-N 2.96Å; V33-S37 PolarHBondContact O-OG 3.48Å; F34-S37 PolarHBondContact O-N 3.13Å; R35-S37 VanDerWaalsContact C-N 3.28Å; R35-S37 PolarHBondContact O-N 2.92Å; S37-V39 PolarHBondContact O-N 3.39Å; S37-V39 VanDerWaalsContact O-N 3.15Å; S37-Y302 WeakPolarHBondContact O-CE1 3.41Å; S37-I341 WeakPolarHBondContact OG-CD1 3.17Å
38C95.8Very high96.6Very high95 Ų9553 Ų5364%0.64226%0.259SS*.THydrogen-bonded Turntrans50.837.5-179-58.20000114.1F34 R35 F36F34-C38 PolarHBondContact O-N 3.24Å; R35-C38 PolarHBondContact O-N 3.15Å; F36-C38 VanDerWaalsContact C-N 3.27Å; F36-C38 PolarHBondContact O-N 3.46Å
39V97.1Very high95.9Very high5 Ų551.7 Ų51.73%0.0325%0.247CC..  trans-65.6133.6-179.6-178.20000109.6F34 S37 V41 L294 Y302 I306F34-V39 HydrophobicContact CB-CB 4.19Å; F34-V39 HydrophobicContact CB-CG2 4.2Å; F34-V39 HydrophobicContact CD1-CG2 4.41Å; F34-V39 HydrophobicContact CD2-CB 3.99Å; F34-V39 HydrophobicContact CD2-CG1 3.79Å; F34-V39 HydrophobicContact CD2-CG2 4.27Å; F34-V39 HydrophobicContact CE2-CG1 4Å; F34-V39 HydrophobicContact CG-CB 4.16Å; F34-V39 HydrophobicContact CG-CG1 4.4Å; F34-V39 HydrophobicContact CG-CG2 4.06Å; F34-V39 PolarHBondContact O-N 3.45Å; S37-V39 PolarHBondContact O-N 3.39Å; S37-V39 VanDerWaalsContact O-N 3.15Å; V39-V41 HydrophobicContact CG1-CB 4.01Å; V39-V41 HydrophobicContact CG1-CG2 3.73Å; V39-V41 PolarHBondContact O-N 3.18Å; V39-L294 HydrophobicContact CG1-CD2 3.62Å; V39-Y302 HydrophobicContact CB-CD1 4.41Å; V39-Y302 HydrophobicContact CG2-CD1 3.85Å; V39-Y302 HydrophobicContact CG2-CG 4.28Å; V39-I306 HydrophobicContact CG2-CD1 4.12Å
40P97.1Very high95.1Very high20 Ų2051.7 Ų51.713%0.1325%0.25CC..SBendtrans-79.356.1179.334.3-37.3000111.6R11 H12 L299 Y302R11-P40 CarbonylContact C-O 3.31Å; R11-P40 WeakPolarHBondContact CA-O 3.41Å; R11-P40 HydrophobicContact CG-CB 4.26Å; H12-P40 PolarHBondContact N-O 2.95Å; P40-L299 HydrophobicContact CG-CD1 3.91Å; P40-L299 HydrophobicContact CG-CD2 3.83Å; P40-Y302 HydrophobicContact CG-CE2 4.05Å
41V97.8Very high93.9Very high10 Ų1055.5 Ų55.56%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-129129.9178.8170.90000109.5R11 H12 V14 F34 V39 F43 L294 L297 L299R11-V41 PolarHBondContact NH2-O 3.21Å; H12-V41 HydrophobicContact CB-CG2 4.4Å; H12-V41 CarbonylContact O-C 3.51Å; H12-V41 VanDerWaalsContact O-CA 3.32Å; H12-V41 WeakPolarHBondContact O-CA 3.48Å; V14-V41 HydrophobicContact CB-CG1 4.11Å; V14-V41 HydrophobicContact CG2-CG1 3.82Å; F34-V41 HydrophobicContact CD2-CB 4.19Å; F34-V41 HydrophobicContact CD2-CG1 4.37Å; F34-V41 HydrophobicContact CE2-CB 4.37Å; F34-V41 HydrophobicContact CE2-CG1 4.41Å; F34-V41 HydrophobicContact CE2-CG2 4.45Å; V39-V41 HydrophobicContact CG1-CB 4.01Å; V39-V41 HydrophobicContact CG1-CG2 3.73Å; V39-V41 PolarHBondContact O-N 3.18Å; V41-F43 HydrophobicContact CG1-CD1 4.27Å; V41-F43 HydrophobicContact CG1-CE1 3.93Å; V41-F43 HydrophobicContact CG1-CE2 4.22Å; V41-F43 HydrophobicContact CG1-CZ 3.92Å; V41-L294 HydrophobicContact CG2-CD2 4.11Å; V41-L297 HydrophobicContact CG2-CD1 3.98Å; V41-L299 HydrophobicContact CG2-CD1 3.97Å
42D97.5Very high92.2Very high69 Ų6952.9 Ų52.937%0.36928%0.277SS..EExtended strand (participates in β ladder)trans-110.2127.9171.9-63.3-50.9000109.2R11 H12 T13 V14R11-D42 IonicContact CZ-OD1 3.72Å; R11-D42 IonicContact CZ-OD2 2.68Å; R11-D42 IonicContact NE-OD1 2.87Å; R11-D42 PolarHBondContact NE-OD1 3.45Å; R11-D42 IonicContact NE-OD2 2.78Å; R11-D42 PolarHBondContact NE-OD2 3.48Å; R11-D42 IonicContact NH2-OD1 3.69Å; R11-D42 PolarHBondContact NH2-OD1 2.67Å; R11-D42 IonicContact NH2-OD2 3.55Å; H12-D42 PolarHBondContact O-N 3.26Å; T13-D42 CarbonylContact C-O 3.53Å; T13-D42 WeakPolarHBondContact CA-O 3.5Å; V14-D42 PolarHBondContact N-O 2.97Å
43F98.1Very high90.4Very high37 Ų3757.5 Ų57.516%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-93.5118.9-178.4-71.2-66.5000111.2V14 L16 V30 R31 F34 V41 L72 M293V14-F43 HydrophobicContact CB-CD1 4.12Å; V14-F43 HydrophobicContact CB-CE1 4.23Å; V14-F43 HydrophobicContact CG1-CD1 4.2Å; V14-F43 HydrophobicContact CG1-CE1 4.09Å; V14-F43 WeakPolarHBondContact O-CA 3.16Å; L16-F43 HydrophobicContact CB-CB 4.02Å; L16-F43 HydrophobicContact CB-CD1 3.88Å; L16-F43 HydrophobicContact CB-CG 4.23Å; L16-F43 HydrophobicContact CD1-CD1 3.87Å; L16-F43 HydrophobicContact CD1-CE1 4Å; L16-F43 HydrophobicContact CD1-CG 4.41Å; L16-F43 HydrophobicContact CD2-CB 4.2Å; L16-F43 HydrophobicContact CD2-CD1 4.49Å; L16-F43 HydrophobicContact CD2-CG 4.27Å; L16-F43 HydrophobicContact CG-CD1 4.31Å; V30-F43 HydrophobicContact CG1-CZ 4.43Å; R31-F43 HydrophobicContact CG-CD2 3.69Å; R31-F43 HydrophobicContact CG-CE2 3.95Å; R31-F43 HydrophobicContact CG-CG 4.48Å; F34-F43 HydrophobicContact CB-CE2 4.44Å; F34-F43 AromaticContact CD2-CE2 3.75Å; F34-F43 HydrophobicContact CD2-CE2 3.75Å; F34-F43 AromaticContact CD2-CZ 3.69Å; F34-F43 HydrophobicContact CD2-CZ 3.69Å; F34-F43 HydrophobicContact CE2-CE2 4.35Å; F34-F43 AromaticContact CE2-CZ 3.81Å; F34-F43 HydrophobicContact CE2-CZ 3.81Å; F34-F43 HydrophobicContact CG-CE2 4.26Å; F34-F43 HydrophobicContact CG-CZ 4.44Å; V41-F43 HydrophobicContact CG1-CD1 4.27Å; V41-F43 HydrophobicContact CG1-CE1 3.93Å; V41-F43 HydrophobicContact CG1-CE2 4.22Å; V41-F43 HydrophobicContact CG1-CZ 3.92Å; F43-L72 HydrophobicContact CE1-CD2 4.33Å; F43-L72 HydrophobicContact CZ-CD2 4.44Å; F43-M293 HydrophobicContact CE1-CE 4.22Å; F43-M293 HydrophobicContact CZ-CE 4.29Å
44E97.4Very high88.9Confident57 Ų5759.8 Ų59.827%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-87.1105.1165.8-171.2-164.8164.600108.8T13 V14 T15 L16 V46 R67 N68T13-E44 HydrophobicContact CG2-CB 4.06Å; V14-E44 PolarHBondContact O-N 3.48Å; T15-E44 CarbonylContact C-O 3.55Å; T15-E44 WeakPolarHBondContact CA-O 3.41Å; L16-E44 PolarHBondContact N-O 3.33Å; E44-V46 PolarHBondContact O-N 3.41Å; E44-R67 IonicContact OE1-CZ 2.72Å; E44-R67 IonicContact OE1-NH2 3.6Å; E44-R67 PolarHBondContact OE1-NH2 3.34Å; E44-R67 IonicContact OE2-CZ 3.59Å; E44-R67 IonicContact OE2-NE 2.82Å; E44-R67 IonicContact OE2-NH2 2.93Å; E44-R67 PolarHBondContact OE2-NH2 3.35Å; E44-N68 PolarHBondContact OE2-ND2 3.03Å
45V97.2Very high87.6Confident55 Ų5566.9 Ų66.933%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-79.3123.4-176.5-172.30000110.1L16 P18L16-V45 HydrophobicContact CB-CG2 4.47Å; L16-V45 HydrophobicContact CD2-CG2 4.12Å; L16-V45 WeakPolarHBondContact O-CA 3.35Å; P18-V45 HydrophobicContact CG-CG1 3.94Å
46V95.4Very high86.7Confident17 Ų1762 Ų6210%0.10334%0.34CS..  trans-122.4126.6173.5-175.50000108.9T15 L16 I17 P18 E44 V48 N60 A61 A64T15-V46 HydrophobicContact CG2-CB 4.3Å; T15-V46 HydrophobicContact CG2-CG2 3.91Å; L16-V46 PolarHBondContact O-N 2.89Å; I17-V46 WeakPolarHBondContact CA-O 3.38Å; P18-V46 WeakPolarHBondContact CD-O 2.96Å; E44-V46 PolarHBondContact O-N 3.41Å; V46-V48 PolarHBondContact O-N 3.46Å; V46-N60 HydrophobicContact CG1-CB 4.43Å; V46-A61 HydrophobicContact CG1-CB 3.93Å; V46-A64 HydrophobicContact CG2-CB 3.77Å
47H91.6Very high86.1Confident118 Ų11859.4 Ų59.455%0.54633%0.331SS..  trans-89.2113.9-176-68-73.9000110.7
48V88.1Confident85.8Confident1 Ų159.2 Ų59.21%0.00633%0.328CS..  trans-131.8122167.4-174.70000107.1I17 G19 V46 D57 I58 A61 I76I17-V48 HydrophobicContact CG2-CB 3.87Å; I17-V48 HydrophobicContact CG2-CG2 4.22Å; G19-V48 WeakPolarHBondContact CA-O 3.33Å; V46-V48 PolarHBondContact O-N 3.46Å; V48-D57 WeakPolarHBondContact CG2-O 3.34Å; V48-I58 HydrophobicContact CG1-CD1 3.94Å; V48-A61 HydrophobicContact CG2-CB 3.53Å; V48-I76 HydrophobicContact CB-CD1 4.06Å; V48-I76 HydrophobicContact CG1-CD1 3.62Å; V48-I76 HydrophobicContact CG1-CG1 4.31Å
49N83.3Confident85.6Confident39 Ų3958.8 Ų58.821%0.20932%0.32CS..  trans-143.417717966.841000110.4D20 A51 L52 R89D20-N49 WeakPolarHBondContact OD1-CB 3.48Å; N49-A51 VanDerWaalsContact C-N 3.33Å; N49-A51 PolarHBondContact OD1-N 2.97Å; N49-L52 WeakPolarHBondContact ND2-CD1 3.33Å; N49-L52 VanDerWaalsContact OD1-CG 3.29Å; N49-L52 WeakPolarHBondContact OD1-CG 3.45Å; N49-L52 PolarHBondContact OD1-N 3.44Å; N49-R89 PolarHBondContact O-NH1 2.78Å
50S80.6Confident85.4Confident27 Ų2763.1 Ų63.119%0.18934%0.343CS..SBendtrans-79.2-11.4-178.961.40000114.7D20D20-S50 VanDerWaalsContact CG-N 3.33Å; D20-S50 VanDerWaalsContact CG-OG 3.23Å; D20-S50 WeakPolarHBondContact OD1-CB 3.4Å; D20-S50 PolarHBondContact OD1-N 3.24Å; D20-S50 PolarHBondContact OD1-OG 3.39Å; D20-S50 WeakPolarHBondContact OD2-CB 3.29Å; D20-S50 PolarHBondContact OD2-N 3.2Å; D20-S50 PolarHBondContact OD2-OG 2.89Å
51A72.6Confident85.2Confident82 Ų8262.1 Ų62.168%0.67834%0.336SS*.SBendtrans-93.1-26.2-175.900000113.3N49 E53N49-A51 VanDerWaalsContact C-N 3.33Å; N49-A51 PolarHBondContact OD1-N 2.97Å; A51-E53 PolarHBondContact O-N 2.93Å
52L63.2Low85.1Confident68 Ų6861.9 Ų61.936%0.35634%0.335SS..  trans-82.1114.8178-64.1164.7000109.1N49 D57 R89N49-L52 WeakPolarHBondContact ND2-CD1 3.33Å; N49-L52 VanDerWaalsContact OD1-CG 3.29Å; N49-L52 WeakPolarHBondContact OD1-CG 3.45Å; N49-L52 PolarHBondContact OD1-N 3.44Å; L52-D57 WeakPolarHBondContact CB-OD2 3.06Å; L52-D57 WeakPolarHBondContact CD1-OD2 3.46Å; L52-R89 PolarHBondContact O-NH1 2.87Å; L52-R89 PolarHBondContact O-NH2 2.68Å
53E60.7Low85Confident185 Ų18562.2 Ų62.286%0.86434%0.339SS*.  trans-84.5-11.1-177.2-64.4-170.9162.200113.7A51A51-E53 PolarHBondContact O-N 2.93Å
54A66.1Low84.9Confident48 Ų4860.5 Ų60.540%0.39733%0.332SS..  trans-67.9132.7-179.200000111.8D56 R89A54-D56 PolarHBondContact O-N 2.85Å; A54-R89 PolarHBondContact O-NH2 3.15Å; A54-R89 VanDerWaalsContact O-NH2 3.15Å
55E70.4Confident84.8Confident155 Ų15557.9 Ų57.972%0.72432%0.32SS*.THydrogen-bonded Turntrans-67.4-25.8172-69.4-169.4156.600111.8D57 I58 D59E55-D57 PolarHBondContact O-N 2.85Å; E55-I58 VanDerWaalsContact O-CG2 3.23Å; E55-I58 WeakPolarHBondContact O-CG2 3.42Å; E55-I58 PolarHBondContact O-N 3.36Å; E55-I58 VanDerWaalsContact O-N 3.15Å; E55-D59 PolarHBondContact O-N 3.01Å
56D78.1Confident84.8Confident115 Ų11560.8 Ų60.862%0.61533%0.325SS*.Hα-helixtrans-55.5-31.1-179.7-63.5-19.1000113.3A54 D59 N60A54-D56 PolarHBondContact O-N 2.85Å; D56-D59 PolarHBondContact O-N 3.5Å; D56-N60 VanDerWaalsContact O-CB 3.31Å; D56-N60 WeakPolarHBondContact O-CB 3.45Å; D56-N60 PolarHBondContact O-N 3.37Å; D56-N60 PolarHBondContact O-ND2 3.34Å
57D84.2Confident84.7Confident33 Ų3366 Ų6618%0.17634%0.343CS..Hα-helixtrans-67.7-40.3-178-66.9-30.6000112.7V48 L52 E55 A61V48-D57 WeakPolarHBondContact CG2-O 3.34Å; L52-D57 WeakPolarHBondContact CB-OD2 3.06Å; L52-D57 WeakPolarHBondContact CD1-OD2 3.46Å; E55-D57 PolarHBondContact O-N 2.85Å; D57-A61 PolarHBondContact O-N 3.4Å; D57-A61 VanDerWaalsContact O-N 3.09Å
58I88.8Confident84.9Confident8 Ų860.7 Ų60.74%0.04132%0.318CS..Hα-helixtrans-71.7-36.8179.6-163.465.5000110.6V48 E55 A61 I62 R89 L92 L93V48-I58 HydrophobicContact CG1-CD1 3.94Å; E55-I58 VanDerWaalsContact O-CG2 3.23Å; E55-I58 WeakPolarHBondContact O-CG2 3.42Å; E55-I58 PolarHBondContact O-N 3.36Å; E55-I58 VanDerWaalsContact O-N 3.15Å; I58-A61 PolarHBondContact O-N 2.82Å; I58-I62 HydrophobicContact CG1-CD1 4.23Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.32Å; I58-I62 PolarHBondContact O-N 3.47Å; I58-R89 HydrophobicContact CD1-CB 4.03Å; I58-R89 HydrophobicContact CD1-CG 4.47Å; I58-L92 HydrophobicContact CG1-CB 4.41Å; I58-L92 HydrophobicContact CG2-CD1 4.48Å; I58-L93 HydrophobicContact CD1-CD1 4.02Å; I58-L93 HydrophobicContact CD1-CD2 4.15Å; I58-L93 HydrophobicContact CD1-CG 3.75Å
59D91.6Very high85.3Confident85 Ų8561.3 Ų61.346%0.45532%0.324SS..Hα-helixtrans-69-37.8177.7-76.7-14.9000111.9E55 D56 A61 I62 T63E55-D59 PolarHBondContact O-N 3.01Å; D56-D59 PolarHBondContact O-N 3.5Å; D59-A61 VanDerWaalsContact C-N 3.34Å; D59-I62 PolarHBondContact O-N 3.4Å; D59-T63 VanDerWaalsContact O-CB 3.29Å; D59-T63 WeakPolarHBondContact O-CB 2.84Å; D59-T63 PolarHBondContact O-N 3.16Å; D59-T63 PolarHBondContact O-OG1 3.18Å
60N92.8Very high86Confident96 Ų9659.8 Ų59.851%0.51332%0.317SS..Hα-helixtrans-60-44.6170.7-77.4-31.9000111.3V46 D56 T63 A64V46-N60 HydrophobicContact CG1-CB 4.43Å; D56-N60 VanDerWaalsContact O-CB 3.31Å; D56-N60 WeakPolarHBondContact O-CB 3.45Å; D56-N60 PolarHBondContact O-N 3.37Å; D56-N60 PolarHBondContact O-ND2 3.34Å; N60-T63 PolarHBondContact O-N 2.82Å; N60-A64 WeakPolarHBondContact O-CB 3.36Å; N60-A64 PolarHBondContact O-N 3.26Å
61A94.5Very high86.8Confident0 Ų058.5 Ų58.50%031%0.308CS..Hα-helixtrans-64.8-45.7176.200000112.5I17 V46 V48 D57 I58 D59 T63 A64 I65I17-A61 HydrophobicContact CD1-CB 3.93Å; V46-A61 HydrophobicContact CG1-CB 3.93Å; V48-A61 HydrophobicContact CG2-CB 3.53Å; D57-A61 PolarHBondContact O-N 3.4Å; D57-A61 VanDerWaalsContact O-N 3.09Å; I58-A61 PolarHBondContact O-N 2.82Å; D59-A61 VanDerWaalsContact C-N 3.34Å; A61-T63 VanDerWaalsContact C-N 3.28Å; A61-T63 PolarHBondContact O-N 3.43Å; A61-A64 PolarHBondContact O-N 2.87Å; A61-I65 VanDerWaalsContact O-CG1 3.22Å; A61-I65 WeakPolarHBondContact O-CG1 3.4Å; A61-I65 PolarHBondContact O-N 3.31Å
62I95.1Very high88.1Confident5 Ų554.6 Ų54.63%0.02628%0.275CS..Hα-helixtrans-58.7-43.3175.9-71164.6000110.2I58 D59 I65 R66 L93 L97I58-I62 HydrophobicContact CG1-CD1 4.23Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.32Å; I58-I62 PolarHBondContact O-N 3.47Å; D59-I62 PolarHBondContact O-N 3.4Å; I62-I65 PolarHBondContact O-N 2.78Å; I62-R66 HydrophobicContact CG2-CG 4.42Å; I62-R66 WeakPolarHBondContact O-CB 3.39Å; I62-R66 VanDerWaalsContact O-CG 3.28Å; I62-R66 WeakPolarHBondContact O-CG 3.44Å; I62-R66 PolarHBondContact O-N 3.05Å; I62-L93 HydrophobicContact CG1-CD2 3.81Å; I62-L97 HydrophobicContact CG2-CD2 4.04Å
63T95.3Very high89.7Confident75 Ų7551.6 Ų51.646%0.4626%0.26SS..Hα-helixtrans-64.8-44.2179.1-60.70000111.7D59 N60 A61 I65 R66 R67D59-T63 VanDerWaalsContact O-CB 3.29Å; D59-T63 WeakPolarHBondContact O-CB 2.84Å; D59-T63 PolarHBondContact O-N 3.16Å; D59-T63 PolarHBondContact O-OG1 3.18Å; N60-T63 PolarHBondContact O-N 2.82Å; A61-T63 VanDerWaalsContact C-N 3.28Å; A61-T63 PolarHBondContact O-N 3.43Å; T63-I65 VanDerWaalsContact C-N 3.34Å; T63-I65 PolarHBondContact O-N 3.21Å; T63-R66 PolarHBondContact O-N 3.16Å; T63-R67 PolarHBondContact O-N 3.36Å
64A95.9Very high91.3Very high2 Ų242.9 Ų42.92%0.01722%0.219CC..Hα-helixtrans-60.9-43.2175.300000111.6T15 V46 N60 A61 R66 R67 N68T15-A64 HydrophobicContact CG2-CB 3.87Å; T15-A64 VanDerWaalsContact OG1-C 3.3Å; T15-A64 PolarHBondContact OG1-O 3.11Å; V46-A64 HydrophobicContact CG2-CB 3.77Å; N60-A64 WeakPolarHBondContact O-CB 3.36Å; N60-A64 PolarHBondContact O-N 3.26Å; A61-A64 PolarHBondContact O-N 2.87Å; A64-R66 PolarHBondContact O-N 3.28Å; A64-R67 PolarHBondContact O-N 3.27Å; A64-N68 WeakPolarHBondContact O-CB 3.3Å; A64-N68 PolarHBondContact O-N 2.85Å; A64-N68 PolarHBondContact O-ND2 3.15Å
65I96.4Very high92.6Very high1 Ų141 Ų411%0.00520%0.202CC..Hα-helixtrans-66.3-39176.8-60.8170.1000111T15 I17 A61 I62 T63 R67 N68 G69 A71 L93 L97 Y261 V263T15-I65 HydrophobicContact CG2-CG1 4.04Å; I17-I65 HydrophobicContact CD1-CD1 4.15Å; A61-I65 VanDerWaalsContact O-CG1 3.22Å; A61-I65 WeakPolarHBondContact O-CG1 3.4Å; A61-I65 PolarHBondContact O-N 3.31Å; I62-I65 PolarHBondContact O-N 2.78Å; T63-I65 VanDerWaalsContact C-N 3.34Å; T63-I65 PolarHBondContact O-N 3.21Å; I65-R67 VanDerWaalsContact C-N 3.27Å; I65-R67 PolarHBondContact O-N 2.78Å; I65-N68 PolarHBondContact O-N 3.19Å; I65-G69 WeakPolarHBondContact O-CA 3.31Å; I65-G69 PolarHBondContact O-N 2.97Å; I65-A71 HydrophobicContact CD1-CB 3.85Å; I65-A71 HydrophobicContact CG1-CB 3.74Å; I65-L93 HydrophobicContact CD1-CD2 3.85Å; I65-L97 HydrophobicContact CB-CD1 3.98Å; I65-L97 HydrophobicContact CB-CD2 4.44Å; I65-L97 HydrophobicContact CD1-CD1 3.75Å; I65-L97 HydrophobicContact CG1-CD1 4.47Å; I65-L97 HydrophobicContact CG2-CD1 3.64Å; I65-L97 HydrophobicContact CG2-CD2 4.24Å; I65-Y261 HydrophobicContact CG2-CD1 4.4Å; I65-V263 HydrophobicContact CD1-CG2 4.23Å
66R95.6Very high93.7Very high116 Ų11633.9 Ų33.944%0.43817%0.169SC..Hα-helixtrans-61.3-37.3175.3-76.7175.8176.7162.51.6112.2I62 T63 A64 S96 L97 Y261I62-R66 HydrophobicContact CG2-CG 4.42Å; I62-R66 WeakPolarHBondContact O-CB 3.39Å; I62-R66 VanDerWaalsContact O-CG 3.28Å; I62-R66 WeakPolarHBondContact O-CG 3.44Å; I62-R66 PolarHBondContact O-N 3.05Å; T63-R66 PolarHBondContact O-N 3.16Å; A64-R66 PolarHBondContact O-N 3.28Å; R66-S96 PolarHBondContact NH2-O 2.99Å; R66-L97 HydrophobicContact CG-CD2 3.75Å; R66-Y261 HydrophobicContact CB-CE1 4.39Å; R66-Y261 HydrophobicContact CG-CE1 4.35Å; R66-Y261 HydrophobicContact CG-CE2 4.34Å
67R94.9Very high94.1Very high128 Ų12830.4 Ų30.448%0.48315%0.149SC..Hα-helixtrans-71.5-47.2176.5-179174.958.7-136.2-15.7112.3E44 T63 A64 I65E44-R67 IonicContact OE1-CZ 2.72Å; E44-R67 IonicContact OE1-NH2 3.6Å; E44-R67 PolarHBondContact OE1-NH2 3.34Å; E44-R67 IonicContact OE2-CZ 3.59Å; E44-R67 IonicContact OE2-NE 2.82Å; E44-R67 IonicContact OE2-NH2 2.93Å; E44-R67 PolarHBondContact OE2-NH2 3.35Å; T63-R67 PolarHBondContact O-N 3.36Å; A64-R67 PolarHBondContact O-N 3.27Å; I65-R67 VanDerWaalsContact C-N 3.27Å; I65-R67 PolarHBondContact O-N 2.78Å
68N95.8Very high94.1Very high6 Ų631.8 Ų31.83%0.03216%0.159CC..Hα-helixtrans-87.2-27.2-170.5-63.4-16.8000112.9T15 E44 A64 I65 V70T15-N68 PolarHBondContact OG1-ND2 3.29Å; E44-N68 PolarHBondContact OE2-ND2 3.03Å; A64-N68 WeakPolarHBondContact O-CB 3.3Å; A64-N68 PolarHBondContact O-N 2.85Å; A64-N68 PolarHBondContact O-ND2 3.15Å; I65-N68 PolarHBondContact O-N 3.19Å; N68-V70 PolarHBondContact O-N 3.16Å
69G95.9Very high93.7Very high13 Ų1336 Ų3613%0.13418%0.177CC..SBendtrans87.3-24.9-177.500000114.1I65 Y261 A262I65-G69 WeakPolarHBondContact O-CA 3.31Å; I65-G69 PolarHBondContact O-N 2.97Å; G69-Y261 VanDerWaalsContact O-CA 3.31Å; G69-Y261 WeakPolarHBondContact O-CA 3.3Å; G69-A262 PolarHBondContact O-N 2.87Å; G69-A262 VanDerWaalsContact O-N 3.14Å
70V97.4Very high93Very high8 Ų840.5 Ų40.55%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-137.9143.6-170.7-179.90000110.8V14 T15 N68 A262 F264 M293 L297V14-V70 HydrophobicContact CG1-CG1 4.25Å; V14-V70 HydrophobicContact CG2-CG1 4.43Å; T15-V70 PolarHBondContact N-O 2.83Å; T15-V70 VanDerWaalsContact N-O 3.09Å; N68-V70 PolarHBondContact O-N 3.16Å; V70-A262 CarbonylContact C-O 3.56Å; V70-A262 WeakPolarHBondContact CA-O 3.34Å; V70-F264 HydrophobicContact CG1-CD2 4.09Å; V70-F264 HydrophobicContact CG1-CE2 3.85Å; V70-M293 HydrophobicContact CG1-CG 3.75Å; V70-M293 HydrophobicContact CG1-SD 4.25Å; V70-L297 HydrophobicContact CB-CD2 4.35Å; V70-L297 HydrophobicContact CG1-CD2 4.43Å; V70-L297 HydrophobicContact CG2-CD2 3.85Å
71A98.3Very high92.3Very high0 Ų041 Ų410%020%0.201CC..EExtended strand (participates in β ladder)trans-136.9151175.100000113.2T15 I65 A262 V263 F264T15-A71 CarbonylContact O-C 3.58Å; T15-A71 WeakPolarHBondContact O-CA 3.36Å; I65-A71 HydrophobicContact CD1-CB 3.85Å; I65-A71 HydrophobicContact CG1-CB 3.74Å; A71-A262 PolarHBondContact N-O 3.24Å; A71-V263 HydrophobicContact CB-CB 4.49Å; A71-V263 HydrophobicContact CB-CG1 4.31Å; A71-V263 HydrophobicContact CB-CG2 3.96Å; A71-V263 WeakPolarHBondContact O-CA 3.44Å; A71-F264 WeakPolarHBondContact O-CD2 3.49Å; A71-F264 PolarHBondContact O-N 2.83Å
72L98.4Very high91.6Very high0 Ų044 Ų440%022%0.216CC..EExtended strand (participates in β ladder)trans-118.3126.1164.5-17867.2000108.3T15 L16 I17 L27 V30 F43 F264 M286 M293T15-L72 PolarHBondContact O-N 2.83Å; L16-L72 WeakPolarHBondContact CA-O 3.49Å; L16-L72 HydrophobicContact CD1-CB 4.04Å; L16-L72 HydrophobicContact CD1-CD2 3.97Å; L16-L72 HydrophobicContact CD1-CG 4.18Å; I17-L72 PolarHBondContact N-O 3.35Å; L27-L72 HydrophobicContact CD2-CD2 3.58Å; L27-L72 HydrophobicContact CD2-CG 3.68Å; V30-L72 HydrophobicContact CG1-CD2 3.86Å; F43-L72 HydrophobicContact CE1-CD2 4.33Å; F43-L72 HydrophobicContact CZ-CD2 4.44Å; L72-F264 WeakPolarHBondContact CA-O 3.3Å; L72-F264 HydrophobicContact CD1-CB 3.84Å; L72-M286 HydrophobicContact CD1-SD 4Å; L72-M286 HydrophobicContact CG-SD 4.44Å; L72-M293 HydrophobicContact CB-SD 3.91Å
73K97Very high90.8Very high5 Ų547.4 Ų47.42%0.02224%0.239CC..EExtended strand (participates in β ladder)trans-129.7144.5-175.466.1172.3-76.2-57.90113.6I17 N90 V263 F264 E265 M286I17-K73 HydrophobicContact CB-CB 3.89Å; I17-K73 CarbonylContact O-C 3.53Å; I17-K73 VanDerWaalsContact O-CA 3.29Å; I17-K73 WeakPolarHBondContact O-CA 3.47Å; K73-N90 PolarHBondContact NZ-OD1 2.67Å; K73-V263 HydrophobicContact CB-CG1 4.49Å; K73-V263 HydrophobicContact CD-CG1 3.45Å; K73-V263 VanDerWaalsContact CD-CG1 3.45Å; K73-V263 HydrophobicContact CG-CG1 3.65Å; K73-F264 PolarHBondContact N-O 2.68Å; K73-E265 HydrophobicContact CD-CB 4.35Å; K73-E265 HydrophobicContact CG-CB 3.74Å; K73-E265 IonicContact NZ-OE2 3.6Å; K73-E265 PolarHBondContact NZ-OE2 3.17Å; K73-M286 WeakPolarHBondContact O-CE 3.45Å
74G96Very high89.8Confident1 Ų150.2 Ų50.21%0.0126%0.258CS..  trans-76.6179.2157.300000111I17 P18I17-G74 PolarHBondContact O-N 3.48Å; P18-G74 WeakPolarHBondContact O-CA 3.27Å
75N93.2Very high88.8Confident8 Ų855.1 Ų55.14%0.04329%0.292CS..PPolyproline II helixtrans-84.9130.9-178.9-70.4-37.1000110.8D20 T266 T268 N270 T271D20-N75 PolarHBondContact N-O 2.97Å; N75-T266 PolarHBondContact ND2-OG1 3.17Å; N75-T268 PolarHBondContact ND2-O 2.86Å; N75-T268 VanDerWaalsContact ND2-O 3.07Å; N75-N270 PolarHBondContact ND2-N 3.49Å; N75-N270 PolarHBondContact ND2-O 3.4Å; N75-T271 HydrophobicContact CB-CG2 3.98Å
76I91.8Very high87.9Confident6 Ų658.5 Ų58.53%0.03131%0.313CS..PPolyproline II helixtrans-95.8126172.3-58.7159.6000107.1I17 D20 V48 R89 N90 L93I17-I76 HydrophobicContact CG2-CD1 4.42Å; D20-I76 WeakPolarHBondContact OD2-CA 3.4Å; V48-I76 HydrophobicContact CB-CD1 4.06Å; V48-I76 HydrophobicContact CG1-CD1 3.62Å; V48-I76 HydrophobicContact CG1-CG1 4.31Å; I76-R89 HydrophobicContact CG2-CB 4.12Å; I76-N90 PolarHBondContact O-ND2 3.39Å; I76-L93 HydrophobicContact CD1-CD1 4.11Å
77E87.8Confident87.2Confident42 Ų4259.5 Ų59.520%0.19632%0.32CS..PPolyproline II helixtrans-71.1142.5-179.9-162.4-178.8-115.900111.1D20 K79 T271 K273D20-E77 PolarHBondContact OD2-N 3.23Å; E77-K79 HydrophobicContact CG-CG 4.45Å; E77-K79 WeakPolarHBondContact OE2-CE 3.12Å; E77-T271 HydrophobicContact CB-CG2 3.98Å; E77-T271 HydrophobicContact CG-CG2 4.36Å; E77-K273 VanDerWaalsContact CD-CE 3.45Å; E77-K273 VanDerWaalsContact OE1-CD 3.29Å; E77-K273 WeakPolarHBondContact OE1-CD 3.49Å; E77-K273 WeakPolarHBondContact OE1-CE 3.15Å; E77-K273 IonicContact OE1-NZ 2.78Å; E77-K273 PolarHBondContact OE1-NZ 3.18Å; E77-K273 WeakPolarHBondContact OE2-CE 3.13Å; E77-K273 IonicContact OE2-NZ 3.2Å; E77-K273 PolarHBondContact OE2-NZ 3.24Å
78T84.2Confident86.8Confident62 Ų6255 Ų5538%0.3831%0.308SS..  trans-125.8121.6163.9-54.40000107.1S88T78-S88 PolarHBondContact OG1-OG 2.96Å
79K80.4Confident86.5Confident97 Ų9756.6 Ų56.642%0.42231%0.314SS..  trans-90.2134.6-178-63.4177.9-177.7171.60109.6E77 T81 M82E77-K79 HydrophobicContact CG-CG 4.45Å; E77-K79 WeakPolarHBondContact OE2-CE 3.12Å; K79-T81 PolarHBondContact O-N 2.76Å; K79-M82 HydrophobicContact CB-CE 4.34Å; K79-M82 HydrophobicContact CB-CG 4.16Å; K79-M82 HydrophobicContact CB-SD 4.37Å; K79-M82 HydrophobicContact CG-CE 4.45Å; K79-M82 WeakPolarHBondContact O-CB 3.47Å; K79-M82 PolarHBondContact O-N 3.46Å; K79-M82 VanDerWaalsContact O-N 3.13Å
80H75.8Confident86.2Confident180 Ų18056.4 Ų56.483%0.83331%0.31SS*.THydrogen-bonded Turntrans-66.1-15.6175.367-86.9000113.1M82H80-M82 VanDerWaalsContact C-N 3.26Å
81T78.9Confident85.8Confident105 Ų10556.9 Ų56.964%0.64431%0.312SS*.THydrogen-bonded Turntrans-80.7-5.7175.961.30000113.1K79K79-T81 PolarHBondContact O-N 2.76Å
82M78.8Confident85.4Confident65 Ų6559.2 Ų59.232%0.3232%0.324SS..SBendtrans-70.9151.4175.4-72.1172.4171.400110.2K79 H80 V86K79-M82 HydrophobicContact CB-CE 4.34Å; K79-M82 HydrophobicContact CB-CG 4.16Å; K79-M82 HydrophobicContact CB-SD 4.37Å; K79-M82 HydrophobicContact CG-CE 4.45Å; K79-M82 WeakPolarHBondContact O-CB 3.47Å; K79-M82 PolarHBondContact O-N 3.46Å; K79-M82 VanDerWaalsContact O-N 3.13Å; H80-M82 VanDerWaalsContact C-N 3.26Å; M82-V86 HydrophobicContact CB-CB 4.33Å; M82-V86 HydrophobicContact SD-CG1 4.24Å
83P79.3Confident85.1Confident76 Ų7659.5 Ų59.549%0.49433%0.326SS..  trans-55.8145.7175.8-2433.1000112S85 V86P83-S85 PolarHBondContact O-N 2.92Å; P83-V86 HydrophobicContact CB-CG2 4.31Å; P83-V86 HydrophobicContact CG-CG2 4.35Å; P83-V86 WeakPolarHBondContact O-CB 3.32Å; P83-V86 PolarHBondContact O-N 3.39Å
84P74.9Confident84.9Confident134 Ų13459.6 Ų59.687%0.8733%0.326SS*.THydrogen-bonded Turntrans-56.8-23.6178.4-26.434.6000114.6V86P84-V86 VanDerWaalsContact C-N 3.26Å; P84-V86 PolarHBondContact O-N 3.43Å
85S74.6Confident84.7Confident104 Ų10462.5 Ų62.573%0.72734%0.343SS*.THydrogen-bonded Turntrans-68.2-22.3175.554.70000113.5P83 K87P83-S85 PolarHBondContact O-N 2.92Å; S85-K87 PolarHBondContact O-N 2.88Å
86V78.1Confident84.8Confident73 Ų7364.4 Ų64.444%0.44236%0.358SS..  trans-81.5107.8-178.1-178.60000109.7M82 P83 P84M82-V86 HydrophobicContact CB-CB 4.33Å; M82-V86 HydrophobicContact SD-CG1 4.24Å; P83-V86 HydrophobicContact CB-CG2 4.31Å; P83-V86 HydrophobicContact CG-CG2 4.35Å; P83-V86 WeakPolarHBondContact O-CB 3.32Å; P83-V86 PolarHBondContact O-N 3.39Å; P84-V86 VanDerWaalsContact C-N 3.26Å; P84-V86 PolarHBondContact O-N 3.43Å
87K79.9Confident84.9Confident136 Ų13664.4 Ų64.459%0.59136%0.358SS*.  trans-72.1141.3173.8-66.9-176.1-179.6178.70110.7S85 R89 L92S85-K87 PolarHBondContact O-N 2.88Å; K87-R89 PolarHBondContact O-N 2.83Å; K87-L92 HydrophobicContact CB-CD1 4.48Å; K87-L92 HydrophobicContact CB-CD2 4.18Å; K87-L92 HydrophobicContact CB-CG 4.22Å; K87-L92 HydrophobicContact CD-CD2 4.18Å
88S86.6Confident85.3Confident33 Ų3365.4 Ų65.423%0.23136%0.364CS..  trans-59.1128.7173.3179.60000110.9T78 N90 N91 L92T78-S88 PolarHBondContact OG1-OG 2.96Å; S88-N90 PolarHBondContact O-N 3.38Å; S88-N90 PolarHBondContact OG-N 2.94Å; S88-N91 WeakPolarHBondContact O-CA 3.48Å; S88-N91 WeakPolarHBondContact O-CB 3.49Å; S88-N91 PolarHBondContact O-N 3.18Å; S88-L92 PolarHBondContact O-N 2.96Å
89R89.1Confident86Confident40 Ų4062.5 Ų62.515%0.15135%0.347CS..Hα-helixtrans-57.4-34.3174.6-69.1-178173.5-163.6-12.2112.9N49 L52 A54 I58 I76 K87 N91 L92 L93N49-R89 PolarHBondContact O-NH1 2.78Å; L52-R89 PolarHBondContact O-NH1 2.87Å; L52-R89 PolarHBondContact O-NH2 2.68Å; A54-R89 PolarHBondContact O-NH2 3.15Å; A54-R89 VanDerWaalsContact O-NH2 3.15Å; I58-R89 HydrophobicContact CD1-CB 4.03Å; I58-R89 HydrophobicContact CD1-CG 4.47Å; I76-R89 HydrophobicContact CG2-CB 4.12Å; K87-R89 PolarHBondContact O-N 2.83Å; R89-N91 VanDerWaalsContact C-N 3.33Å; R89-L92 PolarHBondContact O-N 2.82Å; R89-L93 PolarHBondContact O-N 2.84Å; R89-L93 VanDerWaalsContact O-N 3.07Å
90N89.9Confident86.8Confident9 Ų959.5 Ų59.55%0.04833%0.333CS..Hα-helixtrans-64.9-39.4173.3-63.7-78.1000111.3K73 I76 S88 R94K73-N90 PolarHBondContact NZ-OD1 2.67Å; I76-N90 PolarHBondContact O-ND2 3.39Å; S88-N90 PolarHBondContact O-N 3.38Å; S88-N90 PolarHBondContact OG-N 2.94Å; N90-R94 WeakPolarHBondContact O-CD 3.22Å; N90-R94 WeakPolarHBondContact O-CG 3.25Å; N90-R94 PolarHBondContact O-N 3.26Å; N90-R94 PolarHBondContact O-NE 2.87Å
91N88.6Confident87.8Confident19 Ų1951 Ų5110%0.10229%0.293CS..Hα-helixtrans-66.7-43.3177.1-160.732.7000111.2S88 R89 L93 R94 T95 Y132S88-N91 WeakPolarHBondContact O-CA 3.48Å; S88-N91 WeakPolarHBondContact O-CB 3.49Å; S88-N91 PolarHBondContact O-N 3.18Å; R89-N91 VanDerWaalsContact C-N 3.33Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-L93 PolarHBondContact O-N 3.01Å; N91-R94 WeakPolarHBondContact O-CB 3.34Å; N91-R94 PolarHBondContact O-N 2.72Å; N91-T95 PolarHBondContact O-N 3.49Å; N91-T95 PolarHBondContact O-OG1 3.14Å; N91-Y132 PolarHBondContact ND2-O 3.45Å; N91-Y132 VanDerWaalsContact ND2-O 3.08Å
92L90.6Very high88.7Confident48 Ų4846.1 Ų46.125%0.25126%0.264SS..Hα-helixtrans-56.8-45175.1-69.3174.4000112.1I58 K87 S88 R89 R94 T95 S96I58-L92 HydrophobicContact CG1-CB 4.41Å; I58-L92 HydrophobicContact CG2-CD1 4.48Å; K87-L92 HydrophobicContact CB-CD1 4.48Å; K87-L92 HydrophobicContact CB-CD2 4.18Å; K87-L92 HydrophobicContact CB-CG 4.22Å; K87-L92 HydrophobicContact CD-CD2 4.18Å; S88-L92 PolarHBondContact O-N 2.96Å; R89-L92 PolarHBondContact O-N 2.82Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 3.04Å; L92-T95 PolarHBondContact O-OG1 3.18Å; L92-S96 WeakPolarHBondContact O-CB 3.44Å; L92-S96 PolarHBondContact O-N 3.3Å; L92-S96 PolarHBondContact O-OG 3.06Å
93L92.8Very high89.6Confident6 Ų643.4 Ų43.43%0.03125%0.25CS..Hα-helixtrans-58.4-40.6174.8-78.7165.3000112.2I58 I62 I65 I76 R89 N91 L97I58-L93 HydrophobicContact CD1-CD1 4.02Å; I58-L93 HydrophobicContact CD1-CD2 4.15Å; I58-L93 HydrophobicContact CD1-CG 3.75Å; I62-L93 HydrophobicContact CG1-CD2 3.81Å; I65-L93 HydrophobicContact CD1-CD2 3.85Å; I76-L93 HydrophobicContact CD1-CD1 4.11Å; R89-L93 PolarHBondContact O-N 2.84Å; R89-L93 VanDerWaalsContact O-N 3.07Å; N91-L93 VanDerWaalsContact C-N 3.34Å; N91-L93 PolarHBondContact O-N 3.01Å; L93-L97 HydrophobicContact CD2-CD1 4.31Å; L93-L97 VanDerWaalsContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 WeakPolarHBondContact O-CD1 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.21Å; L93-L97 PolarHBondContact O-N 3.24Å
94R92.5Very high90.5Very high8 Ų839.8 Ų39.83%0.0323%0.227CC..Hα-helixtrans-72.1-46-176.4-64.8153.6179.7-122.2-51.7112.2N90 N91 L92 D98 L99 N127 N256 E265 R269N90-R94 WeakPolarHBondContact O-CD 3.22Å; N90-R94 WeakPolarHBondContact O-CG 3.25Å; N90-R94 PolarHBondContact O-N 3.26Å; N90-R94 PolarHBondContact O-NE 2.87Å; N91-R94 WeakPolarHBondContact O-CB 3.34Å; N91-R94 PolarHBondContact O-N 2.72Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 3.04Å; R94-D98 CarbonylContact O-C 3.6Å; R94-D98 WeakPolarHBondContact O-CA 3.04Å; R94-D98 PolarHBondContact O-N 3.22Å; R94-D98 VanDerWaalsContact O-N 3.07Å; R94-L99 PolarHBondContact O-N 3.43Å; R94-N127 PolarHBondContact NH1-OD1 3.15Å; R94-N127 PolarHBondContact NH2-OD1 3.42Å; R94-N256 PolarHBondContact NH2-OD1 3.07Å; R94-E265 IonicContact NH2-OE1 2.7Å; R94-R269 VanDerWaalsContact NH1-CZ 3.33Å; R94-R269 VanDerWaalsContact NH1-NH2 3.17Å
95T91.9Very high91.4Very high61 Ų6136.1 Ų36.137%0.37420%0.198SC..Hα-helixtrans-74.8-43.5-177.254.80000111.2N91 L92 L97 D98N91-T95 PolarHBondContact O-N 3.49Å; N91-T95 PolarHBondContact O-OG1 3.14Å; L92-T95 PolarHBondContact O-OG1 3.18Å; T95-L97 VanDerWaalsContact C-N 3.26Å; T95-L97 PolarHBondContact O-N 3.27Å; T95-D98 PolarHBondContact O-N 3.01Å; T95-D98 VanDerWaalsContact O-N 3.17Å
96S93.7Very high92.4Very high49 Ų4931.2 Ų31.234%0.34316%0.164SC..Hα-helixtrans-68.3-20.8-179.5-63.70000114.8R66 L92R66-S96 PolarHBondContact NH2-O 2.99Å; L92-S96 WeakPolarHBondContact O-CB 3.44Å; L92-S96 PolarHBondContact O-N 3.3Å; L92-S96 PolarHBondContact O-OG 3.06Å
97L95.4Very high93.3Very high5 Ų531.9 Ų31.93%0.02616%0.162CC..THydrogen-bonded Turntrans-108.33176.2-62.2171.5000112.7I62 I65 R66 L93 T95 L99 Y261I62-L97 HydrophobicContact CG2-CD2 4.04Å; I65-L97 HydrophobicContact CB-CD1 3.98Å; I65-L97 HydrophobicContact CB-CD2 4.44Å; I65-L97 HydrophobicContact CD1-CD1 3.75Å; I65-L97 HydrophobicContact CG1-CD1 4.47Å; I65-L97 HydrophobicContact CG2-CD1 3.64Å; I65-L97 HydrophobicContact CG2-CD2 4.24Å; R66-L97 HydrophobicContact CG-CD2 3.75Å; L93-L97 HydrophobicContact CD2-CD1 4.31Å; L93-L97 VanDerWaalsContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 WeakPolarHBondContact O-CD1 3.28Å; L93-L97 WeakPolarHBondContact O-CG 3.21Å; L93-L97 PolarHBondContact O-N 3.24Å; T95-L97 VanDerWaalsContact C-N 3.26Å; T95-L97 PolarHBondContact O-N 3.27Å; L97-L99 VanDerWaalsContact C-N 3.26Å; L97-L99 HydrophobicContact CB-CD1 4.14Å; L97-L99 HydrophobicContact CB-CD2 4.29Å; L97-L99 HydrophobicContact CB-CG 3.8Å; L97-L99 HydrophobicContact CD1-CD1 4.14Å; L97-L99 PolarHBondContact O-N 2.78Å; L97-Y261 HydrophobicContact CB-CD2 4.05Å; L97-Y261 HydrophobicContact CD2-CD2 3.9Å; L97-Y261 HydrophobicContact CD2-CE2 4.11Å; L97-Y261 HydrophobicContact CD2-CG 4.28Å; L97-Y261 WeakPolarHBondContact O-CD2 3.25Å
98D96.5Very high94.1Very high63 Ų6326.8 Ų26.834%0.33714%0.143SC..THydrogen-bonded Turntrans48.146.5-175.8-168.939.6000113.1R94 T95 Y100 R157 G258R94-D98 CarbonylContact O-C 3.6Å; R94-D98 WeakPolarHBondContact O-CA 3.04Å; R94-D98 PolarHBondContact O-N 3.22Å; R94-D98 VanDerWaalsContact O-N 3.07Å; T95-D98 PolarHBondContact O-N 3.01Å; T95-D98 VanDerWaalsContact O-N 3.17Å; D98-Y100 PolarHBondContact O-N 2.76Å; D98-R157 IonicContact OD1-CZ 3.69Å; D98-R157 VanDerWaalsContact OD1-CZ 3.31Å; D98-R157 IonicContact OD1-NH1 3.72Å; D98-R157 PolarHBondContact OD1-NH1 3.27Å; D98-R157 IonicContact OD1-NH2 3.38Å; D98-R157 PolarHBondContact OD1-NH2 2.84Å; D98-R157 IonicContact OD2-NH1 2.84Å; D98-R157 PolarHBondContact OD2-NH1 3.3Å; D98-G258 WeakPolarHBondContact O-CA 3.47Å
99L97.1Very high94.4Very high2 Ų225.9 Ų25.91%0.0114%0.136CC..  trans-79.767.6177.1-58.9172.1000110.2R94 L97 A101 N127 N256 Y257 Y261 V263R94-L99 PolarHBondContact O-N 3.43Å; L97-L99 VanDerWaalsContact C-N 3.26Å; L97-L99 HydrophobicContact CB-CD1 4.14Å; L97-L99 HydrophobicContact CB-CD2 4.29Å; L97-L99 HydrophobicContact CB-CG 3.8Å; L97-L99 HydrophobicContact CD1-CD1 4.14Å; L97-L99 PolarHBondContact O-N 2.78Å; L99-A101 PolarHBondContact O-N 3.17Å; L99-N127 WeakPolarHBondContact O-CB 3.32Å; L99-N127 PolarHBondContact O-ND2 3.12Å; L99-N256 HydrophobicContact CB-CB 3.93Å; L99-N256 HydrophobicContact CD1-CB 4.17Å; L99-Y257 CarbonylContact C-O 3.54Å; L99-Y257 VanDerWaalsContact C-O 3.31Å; L99-Y261 WeakPolarHBondContact CD2-O 3.33Å; L99-V263 HydrophobicContact CD1-CB 3.95Å; L99-V263 HydrophobicContact CD1-CG2 3.47Å; L99-V263 VanDerWaalsContact CD1-CG2 3.47Å; L99-V263 HydrophobicContact CD2-CG2 4.41Å
100Y97.3Very high94.3Very high34 Ų3427 Ų2713%0.13315%0.148CC..  trans-72.1-23.4-167.173.1-94.6000115.8D98 N127 R157 I158 Y161 Y257D98-Y100 PolarHBondContact O-N 2.76Å; Y100-N127 WeakPolarHBondContact O-CB 3.42Å; Y100-N127 PolarHBondContact O-N 3.38Å; Y100-R157 HydrophobicContact CD2-CG 3.83Å; Y100-R157 HydrophobicContact CE2-CB 4.24Å; Y100-R157 HydrophobicContact CE2-CG 3.97Å; Y100-R157 HydrophobicContact CG-CG 4.35Å; Y100-I158 HydrophobicContact CD2-CD1 4.2Å; Y100-I158 HydrophobicContact CE2-CD1 4.47Å; Y100-Y161 HydrophobicContact CE2-CD2 4.49Å; Y100-Y161 HydrophobicContact CE2-CG 4.39Å; Y100-Y257 PolarHBondContact N-O 3.36Å; Y100-Y257 VanDerWaalsContact N-O 3.12Å
101A98Very high94.2Very high0 Ų027.6 Ų27.60%016%0.157CC..EExtended strand (participates in β ladder)trans-111107.2-177.800000111L99 I158 Y161 N256 Y257L99-A101 PolarHBondContact O-N 3.17Å; A101-I158 HydrophobicContact CB-CD1 3.6Å; A101-Y161 HydrophobicContact CB-CD1 3.77Å; A101-Y161 HydrophobicContact CB-CD2 4.31Å; A101-Y161 HydrophobicContact CB-CE1 3.89Å; A101-Y161 HydrophobicContact CB-CE2 4.39Å; A101-Y161 HydrophobicContact CB-CG 4.01Å; A101-N256 CarbonylContact O-C 3.5Å; A101-N256 WeakPolarHBondContact O-CA 3.38Å; A101-Y257 PolarHBondContact N-O 2.91Å; A101-Y257 PolarHBondContact O-N 3.43Å
102N97.8Very high94.5Very high4 Ų427.6 Ų27.62%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-88.1123.5166.8-179.6-99.3000109.1I124 R125 N127 A255 N256N102-I124 WeakPolarHBondContact O-CA 3.35Å; N102-R125 HydrophobicContact CB-CB 4.14Å; N102-R125 HydrophobicContact CB-CG 4.35Å; N102-R125 PolarHBondContact N-O 2.82Å; N102-R125 PolarHBondContact O-N 3.44Å; N102-N127 HydrophobicContact CB-CB 4.07Å; N102-A255 CarbonylContact C-O 3.57Å; N102-A255 WeakPolarHBondContact CA-O 3.38Å; N102-N256 PolarHBondContact ND2-OD1 2.78Å
103V97.9Very high94.7Very high7 Ų732.6 Ų32.64%0.04218%0.18CC..EExtended strand (participates in β ladder)trans-118.9130.1-177.5-177.10000109.2I123 Y161 L165 G254 A255 Y257V103-I123 WeakPolarHBondContact CA-O 3.34Å; V103-Y161 HydrophobicContact CG2-CE1 3.51Å; V103-L165 HydrophobicContact CG1-CD2 3.96Å; V103-L165 HydrophobicContact CG2-CD2 4.38Å; V103-G254 WeakPolarHBondContact O-CA 3.27Å; V103-A255 PolarHBondContact N-O 3.45Å; V103-A255 PolarHBondContact O-N 3.08Å; V103-Y257 HydrophobicContact CB-CD2 4.25Å; V103-Y257 HydrophobicContact CB-CE2 3.93Å; V103-Y257 HydrophobicContact CG2-CD2 3.68Å; V103-Y257 HydrophobicContact CG2-CE2 3.78Å
104M96.4Very high94.8Very high1 Ų134 Ų341%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-131.5127.4178176.4-173.1-165.500109C106 M122 I123 S239 A243 V252 A267M104-C106 WeakPolarHBondContact CE-SG 3.31Å; M104-C106 VanDerWaalsContact SD-SG 3.68Å; M104-M122 WeakPolarHBondContact O-CA 3.5Å; M104-I123 HydrophobicContact CB-CB 4.32Å; M104-I123 PolarHBondContact N-O 3.08Å; M104-I123 PolarHBondContact O-N 3.48Å; M104-I123 HydrophobicContact SD-CD1 4.03Å; M104-S239 WeakPolarHBondContact CE-O 3.42Å; M104-S239 WeakPolarHBondContact SD-CB 3.28Å; M104-S239 PolarHBondContact SD-OG 2.99Å; M104-S239 VanDerWaalsContact SD-OG 3.39Å; M104-A243 HydrophobicContact CE-CB 3.68Å; M104-V252 HydrophobicContact CE-CB 3.86Å; M104-V252 HydrophobicContact CE-CG1 3.38Å; M104-V252 HydrophobicContact CE-CG2 4.24Å; M104-V252 HydrophobicContact CG-CG1 3.61Å; M104-V252 HydrophobicContact SD-CG1 4.32Å; M104-A267 HydrophobicContact CB-CB 4.44Å; M104-A267 HydrophobicContact CE-CB 3.59Å; M104-A267 HydrophobicContact CG-CB 3.71Å; M104-A267 HydrophobicContact SD-CB 3.93Å
105H95.3Very high95Very high57 Ų5744.6 Ų44.626%0.26423%0.228SC..EExtended strand (participates in β ladder)trans-106.7106176.7-175.9-161.5000109.5D120 V252H105-D120 IonicContact CD2-OD1 3.89Å; H105-D120 IonicContact CE1-OD1 2.79Å; H105-D120 IonicContact NE2-OD1 2.68Å; H105-D120 PolarHBondContact NE2-OD1 3.22Å; H105-V252 WeakPolarHBondContact O-CG1 3.37Å
106C96Very high95.3Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-96.197.5179.7-61.60000109.6M104 D120 I121 C242 V246M104-C106 WeakPolarHBondContact CE-SG 3.31Å; M104-C106 VanDerWaalsContact SD-SG 3.68Å; C106-D120 WeakPolarHBondContact O-CA 3.23Å; C106-I121 PolarHBondContact N-O 3.12Å; C106-I121 PolarHBondContact O-N 3.36Å; C106-C242 HydrophobicContact CB-CB 4.02Å; C106-C242 WeakPolarHBondContact SG-CB 3.4Å; C106-V246 HydrophobicContact CB-CG1 4.17Å
107Q95.9Very high95.4Very high87 Ų8747 Ų4741%0.40723%0.228SC..EExtended strand (participates in β ladder)trans-113.5134.3177.1-167.9177.219.600110.6L109 I119Q107-L109 PolarHBondContact O-N 3.35Å; Q107-I119 CarbonylContact C-O 3.52Å; Q107-I119 VanDerWaalsContact CA-O 3.3Å; Q107-I119 WeakPolarHBondContact CA-O 3.45Å
108S96.4Very high95.4Very high29 Ų2953.5 Ų53.520%0.20326%0.263CS..PPolyproline II helixtrans-61.2116.7166.7-690000109N118 I119S108-N118 PolarHBondContact OG-N 3.21Å; S108-I119 PolarHBondContact N-O 2.93Å; S108-I119 WeakPolarHBondContact OG-CB 3.43Å; S108-I119 PolarHBondContact OG-N 3.32Å
109L93.7Very high95.4Very high15 Ų1550.6 Ų50.68%0.07925%0.247CC..PPolyproline II helixtrans-81.9142.7178.8-60.9-172.4000111Q107 V112 L251 T284 L311Q107-L109 PolarHBondContact O-N 3.35Å; L109-V112 HydrophobicContact CB-CB 4.46Å; L109-V112 HydrophobicContact CB-CG2 3.97Å; L109-V112 PolarHBondContact O-N 3.4Å; L109-L251 HydrophobicContact CD1-CB 4.19Å; L109-L251 HydrophobicContact CD1-CD1 4.35Å; L109-L251 HydrophobicContact CD1-CD2 3.99Å; L109-L251 HydrophobicContact CD1-CG 4.41Å; L109-T284 HydrophobicContact CD1-CG2 4.06Å; L109-L311 HydrophobicContact CD2-CD2 3.68Å
110P85.9Confident95.5Very high63 Ų6353 Ų5341%0.40926%0.26SS..THydrogen-bonded Turntrans-66.4142.6173.735-38.1000109.1V112 N315P110-V112 VanDerWaalsContact C-N 3.3Å; P110-V112 PolarHBondContact O-N 2.91Å; P110-N315 WeakPolarHBondContact CB-OD1 3.37Å; P110-N315 WeakPolarHBondContact CG-OD1 3.32Å; P110-N315 PolarHBondContact O-OD1 2.93Å
111G89.6Confident95.5Very high22 Ų2251.3 Ų51.323%0.22725%0.253CS..THydrogen-bonded Turntrans87.7-29.6-174.300000115Q113 N315 H320G111-Q113 PolarHBondContact O-N 3.33Å; G111-N315 PolarHBondContact N-OD1 3.34Å; G111-H320 PolarHBondContact O-CE1 2.54Å
112V94.7Very high95.5Very high19 Ų1951.8 Ų51.812%0.11526%0.256CS..  trans-82118.8-179.7-176.30000110.6L109 P110 T114 L251 M314 L324L109-V112 HydrophobicContact CB-CB 4.46Å; L109-V112 HydrophobicContact CB-CG2 3.97Å; L109-V112 PolarHBondContact O-N 3.4Å; P110-V112 VanDerWaalsContact C-N 3.3Å; P110-V112 PolarHBondContact O-N 2.91Å; V112-T114 HydrophobicContact CG1-CG2 3.98Å; V112-L251 HydrophobicContact CB-CD1 4.45Å; V112-L251 HydrophobicContact CG1-CD1 3.89Å; V112-L251 HydrophobicContact CG2-CD1 3.99Å; V112-M314 HydrophobicContact CG2-CE 3.78Å; V112-L324 HydrophobicContact CG1-CD2 4.19Å; V112-L324 HydrophobicContact CG2-CD1 4.34Å
113Q93.5Very high95.5Very high153 Ų15351.6 Ų51.672%0.71526%0.255SS*.  trans-88.5119.4177.9-62.3-58.9-4000110.8G111G111-Q113 PolarHBondContact O-N 3.33Å
114T96Very high95.6Very high36 Ų3651.3 Ų51.322%0.22125%0.253CS..  trans-133.6171.6173.868.40000110.8V112 H116 L245V112-T114 HydrophobicContact CG1-CG2 3.98Å; T114-H116 VanDerWaalsContact C-N 3.31Å; T114-H116 PolarHBondContact O-N 3.29Å; T114-H116 PolarHBondContact OG1-O 2.98Å; T114-L245 PolarHBondContact OG1-O 3.06Å
115R96.3Very high95.6Very high229 Ų22951.3 Ų51.386%0.86425%0.253SS*.SBendtrans-62-38179.2-178.4178.6-68.1156.8-0.1112.6
116H97Very high95.7Very high25 Ų2548.9 Ų48.912%0.11624%0.241CC..SBendtrans-112.4135.8-176.8-61.4-85.3000110.3T114 I119 V219 P222T114-H116 VanDerWaalsContact C-N 3.31Å; T114-H116 PolarHBondContact O-N 3.29Å; T114-H116 PolarHBondContact OG1-O 2.98Å; H116-I119 HydrophobicContact CB-CD1 3.7Å; H116-I119 HydrophobicContact CB-CG1 4.32Å; H116-V219 PolarHBondContact CE1-O 3.18Å; H116-V219 PolarHBondContact NE2-O 3.05Å; H116-P222 HydrophobicContact CB-CG 4.05Å
117K95.8Very high95.7Very high135 Ų13548.9 Ų48.959%0.58724%0.241SC*.  trans-108.9162.3-178.8-60.1-178.4-179.8-177.80111I119 Q223K117-I119 VanDerWaalsContact C-N 3.31Å; K117-I119 PolarHBondContact O-N 2.72Å; K117-Q223 PolarHBondContact O-NE2 2.81Å
118N95.8Very high95.5Very high142 Ų14245.7 Ų45.776%0.75923%0.228SC*.SBendtrans55.443.4173.7-53.6-27.6000113.1S108S108-N118 PolarHBondContact OG-N 3.21Å
119I98Very high95.4Very high2 Ų244.8 Ų44.81%0.0122%0.221CC..  trans-85.2133.8171.9-60.3-179.4000108.2Q107 S108 H116 K117 I121 P222 L245 V246Q107-I119 CarbonylContact C-O 3.52Å; Q107-I119 VanDerWaalsContact CA-O 3.3Å; Q107-I119 WeakPolarHBondContact CA-O 3.45Å; S108-I119 PolarHBondContact N-O 2.93Å; S108-I119 WeakPolarHBondContact OG-CB 3.43Å; S108-I119 PolarHBondContact OG-N 3.32Å; H116-I119 HydrophobicContact CB-CD1 3.7Å; H116-I119 HydrophobicContact CB-CG1 4.32Å; K117-I119 VanDerWaalsContact C-N 3.31Å; K117-I119 PolarHBondContact O-N 2.72Å; I119-I121 HydrophobicContact CG2-CD1 3.71Å; I119-I121 HydrophobicContact CG2-CG1 3.82Å; I119-P222 HydrophobicContact CD1-CB 4.06Å; I119-P222 HydrophobicContact CD1-CG 3.69Å; I119-P222 HydrophobicContact CG1-CB 4.25Å; I119-P222 HydrophobicContact CG1-CG 3.95Å; I119-L245 HydrophobicContact CD1-CB 3.56Å; I119-L245 HydrophobicContact CD1-CD1 4.26Å; I119-L245 HydrophobicContact CD1-CG 4.43Å; I119-V246 HydrophobicContact CB-CG1 4.02Å; I119-V246 HydrophobicContact CD1-CG1 4.29Å; I119-V246 HydrophobicContact CG2-CG1 3.86Å
120D97.7Very high95.2Very high52 Ų5244.1 Ų44.128%0.27822%0.217SC..EExtended strand (participates in β ladder)trans-151.684.1174.2-179.823.2000108.8H105 C106 R171H105-D120 IonicContact CD2-OD1 3.89Å; H105-D120 IonicContact CE1-OD1 2.79Å; H105-D120 IonicContact NE2-OD1 2.68Å; H105-D120 PolarHBondContact NE2-OD1 3.22Å; C106-D120 WeakPolarHBondContact O-CA 3.23Å; D120-R171 IonicContact OD1-CZ 2.67Å; D120-R171 IonicContact OD1-NH1 3.27Å; D120-R171 IonicContact OD1-NH2 2.96Å; D120-R171 PolarHBondContact OD1-NH2 3.32Å; D120-R171 IonicContact OD2-CZ 3.61Å; D120-R171 VanDerWaalsContact OD2-CZ 3.24Å; D120-R171 IonicContact OD2-NH1 2.61Å; D120-R171 PolarHBondContact OD2-NH1 2.75Å; D120-R171 IonicContact OD2-NH2 3.69Å; D120-R171 PolarHBondContact OD2-NH2 3.47Å
121I98.2Very high95.2Very high0 Ų043.4 Ų43.40%021%0.208CC..EExtended strand (participates in β ladder)trans-120.7131.7-172.5-55.4170.3000109.2C106 I119 I123 L218 P222 F225 D226 M228C106-I121 PolarHBondContact N-O 3.12Å; C106-I121 PolarHBondContact O-N 3.36Å; I119-I121 HydrophobicContact CG2-CD1 3.71Å; I119-I121 HydrophobicContact CG2-CG1 3.82Å; I121-I123 HydrophobicContact CG2-CG1 4.14Å; I121-L218 HydrophobicContact CD1-CD2 3.9Å; I121-P222 HydrophobicContact CD1-CB 4.15Å; I121-P222 WeakPolarHBondContact CD1-O 3.38Å; I121-F225 HydrophobicContact CD1-CB 4.1Å; I121-F225 HydrophobicContact CG1-CB 4.16Å; I121-F225 HydrophobicContact CG2-CB 4.21Å; I121-D226 WeakPolarHBondContact CA-O 3.47Å; I121-M228 HydrophobicContact CG2-CG 4.12Å; I121-M228 HydrophobicContact CG2-SD 3.66Å
122M98.2Very high94.6Very high10 Ų1045.1 Ų45.15%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-102124.3168.7-65.5-164.8-56.800110.4M104 L165 K169 R171 D226 V227 M228M104-M122 WeakPolarHBondContact O-CA 3.5Å; M122-L165 HydrophobicContact CE-CD2 4.48Å; M122-L165 HydrophobicContact CE-CG 4.38Å; M122-L165 HydrophobicContact SD-CD2 4.47Å; M122-K169 HydrophobicContact CE-CB 4.09Å; M122-K169 HydrophobicContact CE-CG 4.19Å; M122-K169 HydrophobicContact SD-CG 4.36Å; M122-R171 HydrophobicContact CE-CG 3.53Å; M122-D226 PolarHBondContact N-O 2.96Å; M122-V227 HydrophobicContact CB-CG2 4.34Å; M122-V227 HydrophobicContact CE-CG2 3.53Å; M122-V227 CarbonylContact O-C 3.59Å; M122-V227 WeakPolarHBondContact O-CA 3.36Å; M122-M228 PolarHBondContact O-N 3.28Å
123I98.4Very high93.9Very high0 Ų045.9 Ų45.90%022%0.215CC..EExtended strand (participates in β ladder)trans-108.2126.3179.6-56.7167.1000108V103 M104 I121 M230 V238 C242V103-I123 WeakPolarHBondContact CA-O 3.34Å; M104-I123 HydrophobicContact CB-CB 4.32Å; M104-I123 PolarHBondContact N-O 3.08Å; M104-I123 PolarHBondContact O-N 3.48Å; M104-I123 HydrophobicContact SD-CD1 4.03Å; I121-I123 HydrophobicContact CG2-CG1 4.14Å; I123-M230 HydrophobicContact CG2-CE 3.87Å; I123-M230 HydrophobicContact CG2-SD 4.42Å; I123-V238 HydrophobicContact CD1-CG1 4.26Å; I123-C242 HydrophobicContact CD1-CB 3.6Å
124I98.5Very high93.1Very high0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-121.4112-178.9-56.3176.1000107.3N102 I158 Y161 A162 L165 V227 M228 V229 M230N102-I124 WeakPolarHBondContact O-CA 3.35Å; I124-I158 HydrophobicContact CG2-CD1 3.62Å; I124-I158 HydrophobicContact CG2-CG1 4.11Å; I124-Y161 HydrophobicContact CG2-CD1 3.99Å; I124-Y161 HydrophobicContact CG2-CE1 4.46Å; I124-A162 HydrophobicContact CB-CB 4.38Å; I124-A162 VanDerWaalsContact CD1-CA 3.44Å; I124-A162 HydrophobicContact CD1-CB 3.64Å; I124-A162 HydrophobicContact CG2-CB 4.19Å; I124-L165 HydrophobicContact CD1-CB 4.39Å; I124-L165 HydrophobicContact CD1-CD2 3.79Å; I124-L165 HydrophobicContact CG1-CD2 4.38Å; I124-V227 HydrophobicContact CD1-CG1 3.54Å; I124-V227 HydrophobicContact CG1-CG1 4.25Å; I124-M228 PolarHBondContact N-O 3.05Å; I124-V229 HydrophobicContact CG2-CG2 4.44Å; I124-V229 VanDerWaalsContact O-CA 3.31Å; I124-V229 WeakPolarHBondContact O-CA 3.33Å; I124-M230 PolarHBondContact O-N 2.99Å
125R97.4Very high92.6Very high2 Ų244.6 Ų44.61%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-113.2130.4-173.4161.6-174.2177.2-178.27.2109.5N102 N127 Y132 N232 N236N102-R125 HydrophobicContact CB-CB 4.14Å; N102-R125 HydrophobicContact CB-CG 4.35Å; N102-R125 PolarHBondContact N-O 2.82Å; N102-R125 PolarHBondContact O-N 3.44Å; R125-N127 PolarHBondContact O-N 3.2Å; R125-Y132 PolarHBondContact NH2-OH 3.13Å; R125-Y132 VanDerWaalsContact NH2-OH 3.14Å; R125-N232 PolarHBondContact NE-O 3.2Å; R125-N232 PolarHBondContact NE-OD1 2.88Å; R125-N232 PolarHBondContact NH2-O 3.12Å; R125-N232 PolarHBondContact NH2-OD1 2.92Å; R125-N236 PolarHBondContact NH1-OD1 3.02Å
126E97.3Very high92.3Very high5 Ų539.5 Ų39.52%0.02320%0.203CC..EExtended strand (participates in β ladder)trans-61131.5164.6-161.9-63.4124.400109.1T128 E129 I158 M230 N232E126-T128 WeakPolarHBondContact OE1-CA 3.45Å; E126-T128 WeakPolarHBondContact OE1-CB 3.37Å; E126-T128 PolarHBondContact OE1-N 3.45Å; E126-T128 PolarHBondContact OE1-OG1 3.49Å; E126-T128 PolarHBondContact OE2-N 2.99Å; E126-E129 VanDerWaalsContact CD-CG 3.48Å; E126-E129 HydrophobicContact CG-CG 4.25Å; E126-E129 PolarHBondContact OE1-N 3.21Å; E126-E129 WeakPolarHBondContact OE2-CG 3.48Å; E126-E129 PolarHBondContact OE2-N 3.4Å; E126-I158 HydrophobicContact CB-CG1 4.21Å; E126-I158 HydrophobicContact CB-CG2 4.31Å; E126-I158 HydrophobicContact CG-CB 4.49Å; E126-I158 HydrophobicContact CG-CG2 4.28Å; E126-M230 PolarHBondContact N-O 3.47Å; E126-N232 WeakPolarHBondContact O-CA 3.49Å; E126-N232 VanDerWaalsContact O-CB 3.24Å; E126-N232 WeakPolarHBondContact O-CB 3.46Å; E126-N232 PolarHBondContact O-OD1 2.91Å
127N95.1Very high92Very high0 Ų042 Ų420%022%0.215CC..  trans-1289.2-163.9-160.548.8000114.2R94 L99 Y100 N102 R125 N256R94-N127 PolarHBondContact NH1-OD1 3.15Å; R94-N127 PolarHBondContact NH2-OD1 3.42Å; L99-N127 WeakPolarHBondContact O-CB 3.32Å; L99-N127 PolarHBondContact O-ND2 3.12Å; Y100-N127 WeakPolarHBondContact O-CB 3.42Å; Y100-N127 PolarHBondContact O-N 3.38Å; N102-N127 HydrophobicContact CB-CB 4.07Å; R125-N127 PolarHBondContact O-N 3.2Å; N127-N256 PolarHBondContact ND2-OD1 3.16Å
128T92.6Very high91.9Very high21 Ų2141.1 Ų41.113%0.12921%0.212CC..SBendtrans-124.3-19.1-174.352.60000115.1E126 R157E126-T128 WeakPolarHBondContact OE1-CA 3.45Å; E126-T128 WeakPolarHBondContact OE1-CB 3.37Å; E126-T128 PolarHBondContact OE1-N 3.45Å; E126-T128 PolarHBondContact OE1-OG1 3.49Å; E126-T128 PolarHBondContact OE2-N 2.99Å; T128-R157 PolarHBondContact OG1-NH2 2.84Å
129E93.2Very high91.7Very high10 Ų1037 Ų375%0.04720%0.195CC..SBendtrans-134.9-158.5-179.565.6174-154.900112.3E126 I150 T151 N154 N232E126-E129 VanDerWaalsContact CD-CG 3.48Å; E126-E129 HydrophobicContact CG-CG 4.25Å; E126-E129 PolarHBondContact OE1-N 3.21Å; E126-E129 WeakPolarHBondContact OE2-CG 3.48Å; E126-E129 PolarHBondContact OE2-N 3.4Å; E129-I150 WeakPolarHBondContact OE1-CA 3.49Å; E129-T151 VanDerWaalsContact CD-N 3.34Å; E129-T151 PolarHBondContact OE1-N 3.17Å; E129-T151 WeakPolarHBondContact OE2-CB 3.44Å; E129-T151 WeakPolarHBondContact OE2-CG2 3.43Å; E129-T151 PolarHBondContact OE2-N 3.47Å; E129-T151 PolarHBondContact OE2-OG1 2.94Å; E129-N154 VanDerWaalsContact CD-CB 3.4Å; E129-N154 HydrophobicContact CG-CB 4.09Å; E129-N154 WeakPolarHBondContact OE2-CB 3.26Å; E129-N154 PolarHBondContact OE2-ND2 3.46Å; E129-N232 VanDerWaalsContact O-CB 3.22Å; E129-N232 WeakPolarHBondContact O-CB 3.32Å; E129-N232 PolarHBondContact O-ND2 2.81Å
130G90.9Very high91.6Very high1 Ų141.2 Ų41.21%0.0122%0.22CC..EExtended strand (participates in β ladder)trans79.6-135.5-176.700000111.8Y132 S133 I149G130-Y132 PolarHBondContact O-N 2.87Å; G130-S133 PolarHBondContact O-N 3.07Å; G130-S133 PolarHBondContact O-OG 3.21Å; G130-I149 VanDerWaalsContact CA-O 3.27Å; G130-I149 WeakPolarHBondContact CA-O 3.5Å; G130-I149 PolarHBondContact N-O 2.82Å
131E84.4Confident91.5Very high47 Ų4744.6 Ų44.622%0.2225%0.248CC..EExtended strand (participates in β ladder)trans-71.4-14.5-177.8-58.886170.700112.3S133 K148 L233E131-S133 VanDerWaalsContact C-N 3.32Å; E131-K148 HydrophobicContact CG-CD 4.12Å; E131-K148 HydrophobicContact CG-CG 4.26Å; E131-K148 VanDerWaalsContact OE1-CD 3.26Å; E131-K148 WeakPolarHBondContact OE1-CD 3.39Å; E131-K148 WeakPolarHBondContact OE1-CE 3.45Å; E131-K148 IonicContact OE1-NZ 2.73Å; E131-K148 PolarHBondContact OE1-NZ 2.82Å; E131-L233 HydrophobicContact CB-CB 4.12Å; E131-L233 HydrophobicContact CB-CD2 4.36Å; E131-L233 HydrophobicContact CG-CB 3.88Å; E131-L233 HydrophobicContact CG-CD2 3.78Å; E131-L233 HydrophobicContact CG-CG 4.42Å; E131-L233 WeakPolarHBondContact OE2-CB 3.42Å; E131-L233 PolarHBondContact OE2-N 2.87Å
132Y77.9Confident91.4Very high58 Ų5847.8 Ų47.823%0.22728%0.281CS..EExtended strand (participates in β ladder)trans-90.54.1-179.7-76.4-122.3000113N91 R125 G130 S134 N232N91-Y132 PolarHBondContact ND2-O 3.45Å; N91-Y132 VanDerWaalsContact ND2-O 3.08Å; R125-Y132 PolarHBondContact NH2-OH 3.13Å; R125-Y132 VanDerWaalsContact NH2-OH 3.14Å; G130-Y132 PolarHBondContact O-N 2.87Å; Y132-S134 PolarHBondContact O-N 2.84Å; Y132-N232 WeakPolarHBondContact CB-ND2 3.37Å; Y132-N232 HydrophobicContact CD2-CB 4.38Å
133S78.8Confident91.3Very high36 Ų3650.8 Ų50.825%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-63.9-19.3164.6-61.50000111.8G130 E131 L135G130-S133 PolarHBondContact O-N 3.07Å; G130-S133 PolarHBondContact O-OG 3.21Å; E131-S133 VanDerWaalsContact C-N 3.32Å; S133-L135 PolarHBondContact O-N 3.42Å; S133-L135 VanDerWaalsContact O-N 3.15Å
134S77.8Confident91.1Very high72 Ų7255.1 Ų55.150%0.50333%0.326SS..EExtended strand (participates in β ladder)trans50.937.1175.7-600000113.1Y132 E136Y132-S134 PolarHBondContact O-N 2.84Å; S134-E136 PolarHBondContact O-N 3.26Å
135L85.7Confident90.9Very high90 Ų9059 Ų5947%0.47134%0.344SS..EExtended strand (participates in β ladder)trans-90.487.9175.2-66.4179.1000107.8S133 L147 I149S133-L135 PolarHBondContact O-N 3.42Å; S133-L135 VanDerWaalsContact O-N 3.15Å; L135-L147 HydrophobicContact CB-CB 3.95Å; L135-L147 HydrophobicContact CB-CD1 4.42Å; L135-L147 PolarHBondContact O-N 2.7Å; L135-I149 HydrophobicContact CD1-CG1 4.14Å
136E89.4Confident90.6Very high121 Ų12162.9 Ų62.957%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-121.6141.1-179.3-58.4-174.3154.800109.9S134 E145 C146S134-E136 PolarHBondContact O-N 3.26Å; E136-E145 VanDerWaalsContact CA-O 3.26Å; E136-E145 WeakPolarHBondContact CA-O 3.45Å; E136-C146 HydrophobicContact CG-CB 4.27Å; E136-C146 PolarHBondContact OE1-SG 3.27Å
137H90.1Very high90.4Very high79 Ų7966.6 Ų66.637%0.36639%0.39SS..EExtended strand (participates in β ladder)trans-150.9155.4173.461.9-73.2000110.5S139 V144 E145H137-S139 PolarHBondContact CD2-OG 2.73Å; H137-S139 VanDerWaalsContact CD2-OG 3.25Å; H137-S139 PolarHBondContact NE2-OG 3.28Å; H137-V144 WeakPolarHBondContact O-CA 3.46Å; H137-E145 IonicContact CE1-OE2 3.31Å; H137-E145 PolarHBondContact CE1-OE2 3.02Å; H137-E145 VanDerWaalsContact CE1-OE2 3.31Å; H137-E145 PolarHBondContact N-O 3.44Å; H137-E145 VanDerWaalsContact N-O 3.12Å; H137-E145 IonicContact NE2-OE2 3.31Å; H137-E145 PolarHBondContact NE2-OE2 2.92Å; H137-E145 PolarHBondContact O-N 3.03Å
138E93.7Very high90.3Very high115 Ų11569.1 Ų69.154%0.53740%0.401SS..EExtended strand (participates in β ladder)trans-101.798.7173.7-174.9173.9-16100108.2V140 S141 G142 V143 V144E138-V140 VanDerWaalsContact C-N 3.31Å; E138-V140 WeakPolarHBondContact CG-O 3.48Å; E138-V140 PolarHBondContact O-N 2.94Å; E138-S141 VanDerWaalsContact OE1-CA 3.32Å; E138-S141 WeakPolarHBondContact OE1-CA 3.46Å; E138-G142 PolarHBondContact OE1-N 3.2Å; E138-V143 CarbonylContact C-O 3.56Å; E138-V143 VanDerWaalsContact CA-O 3.31Å; E138-V143 WeakPolarHBondContact CA-O 3.4Å; E138-V144 HydrophobicContact CB-CG2 4.44Å; E138-V144 HydrophobicContact CG-CG2 4.41Å
139S93.1Very high90.4Very high57 Ų5771.6 Ų71.640%0.39941%0.413SS..EExtended strand (participates in β ladder)trans-64.3-39.1-176.1-62.20000111.6H137 V143 E145H137-S139 PolarHBondContact CD2-OG 2.73Å; H137-S139 VanDerWaalsContact CD2-OG 3.25Å; H137-S139 PolarHBondContact NE2-OG 3.28Å; S139-V143 PolarHBondContact N-O 2.9Å; S139-V143 VanDerWaalsContact N-O 3.11Å; S139-E145 PolarHBondContact OG-OE1 3.3Å
140V95.8Very high90.6Very high90 Ų9072.3 Ų72.355%0.54542%0.417SS..EExtended strand (participates in β ladder)trans-143.6155.6170-64.70000108.8E138 G142 V143E138-V140 VanDerWaalsContact C-N 3.31Å; E138-V140 WeakPolarHBondContact CG-O 3.48Å; E138-V140 PolarHBondContact O-N 2.94Å; V140-G142 PolarHBondContact O-N 2.98Å; V140-G142 VanDerWaalsContact O-N 3.12Å; V140-V143 HydrophobicContact CG2-CB 3.63Å; V140-V143 HydrophobicContact CG2-CG1 4.5Å; V140-V143 HydrophobicContact CG2-CG2 3.49Å; V140-V143 VanDerWaalsContact CG2-CG2 3.49Å; V140-V143 PolarHBondContact O-N 3.23Å
141S95.7Very high90.9Very high122 Ų12274.5 Ų74.585%0.85343%0.43SS*.THydrogen-bonded Turntrans-49.4118.9179.5-170.40000111.7E138E138-S141 VanDerWaalsContact OE1-CA 3.32Å; E138-S141 WeakPolarHBondContact OE1-CA 3.46Å
142G95.6Very high91.6Very high67 Ų6776.9 Ų76.969%0.69144%0.437SS*.THydrogen-bonded Turntrans89.4-1.1-176.400000116.2E138 V140E138-G142 PolarHBondContact OE1-N 3.2Å; V140-G142 PolarHBondContact O-N 2.98Å; V140-G142 VanDerWaalsContact O-N 3.12Å
143V96.1Very high92.6Very high73 Ų7379.1 Ų79.144%0.44246%0.456SS..EExtended strand (participates in β ladder)trans-121.6103.2-178.6-178.30000110.3E138 S139 V140E138-V143 CarbonylContact C-O 3.56Å; E138-V143 VanDerWaalsContact CA-O 3.31Å; E138-V143 WeakPolarHBondContact CA-O 3.4Å; S139-V143 PolarHBondContact N-O 2.9Å; S139-V143 VanDerWaalsContact N-O 3.11Å; V140-V143 HydrophobicContact CG2-CB 3.63Å; V140-V143 HydrophobicContact CG2-CG1 4.5Å; V140-V143 HydrophobicContact CG2-CG2 3.49Å; V140-V143 VanDerWaalsContact CG2-CG2 3.49Å; V140-V143 PolarHBondContact O-N 3.23Å
144V93.9Very high93.5Very high91 Ų9178.7 Ų78.755%0.55245%0.452SS*.EExtended strand (participates in β ladder)trans-103.6126.9-179.5-176.70000110.2H137 E138H137-V144 WeakPolarHBondContact O-CA 3.46Å; E138-V144 HydrophobicContact CB-CG2 4.44Å; E138-V144 HydrophobicContact CG-CG2 4.41Å
145E93.5Very high94.4Very high83 Ų8375.3 Ų75.339%0.38843%0.428SS..EExtended strand (participates in β ladder)trans-103.5131.9174.7-67.9-179-154.300110.3E136 H137 S139E136-E145 VanDerWaalsContact CA-O 3.26Å; E136-E145 WeakPolarHBondContact CA-O 3.45Å; H137-E145 IonicContact CE1-OE2 3.31Å; H137-E145 PolarHBondContact CE1-OE2 3.02Å; H137-E145 VanDerWaalsContact CE1-OE2 3.31Å; H137-E145 PolarHBondContact N-O 3.44Å; H137-E145 VanDerWaalsContact N-O 3.12Å; H137-E145 IonicContact NE2-OE2 3.31Å; H137-E145 PolarHBondContact NE2-OE2 2.92Å; H137-E145 PolarHBondContact O-N 3.03Å; S139-E145 PolarHBondContact OG-OE1 3.3Å
146C92.1Very high95.1Very high83 Ų8372.6 Ų72.656%0.56141%0.413SS*.EExtended strand (participates in β ladder)trans-115112.8173.6-58.30000109.2E136 K148E136-C146 HydrophobicContact CG-CB 4.27Å; E136-C146 PolarHBondContact OE1-SG 3.27Å; C146-K148 PolarHBondContact O-N 3.01Å
147L92.8Very high95.5Very high82 Ų8268.9 Ų68.943%0.42939%0.394SS..EExtended strand (participates in β ladder)trans-90.4108.6-177.6-59.7173.4000110.7L135L135-L147 HydrophobicContact CB-CB 3.95Å; L135-L147 HydrophobicContact CB-CD1 4.42Å; L135-L147 PolarHBondContact O-N 2.7Å
148K93.5Very high95.9Very high54 Ų5465.1 Ų65.124%0.23538%0.377CS..EExtended strand (participates in β ladder)trans-87.3119172.7176.3-178.6173.8169.60110.1E131 C146 I150 M183 D187 Y234E131-K148 HydrophobicContact CG-CD 4.12Å; E131-K148 HydrophobicContact CG-CG 4.26Å; E131-K148 VanDerWaalsContact OE1-CD 3.26Å; E131-K148 WeakPolarHBondContact OE1-CD 3.39Å; E131-K148 WeakPolarHBondContact OE1-CE 3.45Å; E131-K148 IonicContact OE1-NZ 2.73Å; E131-K148 PolarHBondContact OE1-NZ 2.82Å; C146-K148 PolarHBondContact O-N 3.01Å; K148-I150 HydrophobicContact CG-CG1 4.5Å; K148-M183 HydrophobicContact CD-SD 4.22Å; K148-D187 IonicContact NZ-OD1 2.9Å; K148-D187 PolarHBondContact NZ-OD1 3.2Å; K148-Y234 PolarHBondContact NZ-OH 2.89Å; K148-Y234 VanDerWaalsContact NZ-OH 3.08Å
149I95Very high96.1Very high72 Ų7259.7 Ų59.737%0.36935%0.351SS..EExtended strand (participates in β ladder)trans-105121.5178.3-51.6-57.1000109.7G130 L135 T151G130-I149 VanDerWaalsContact CA-O 3.27Å; G130-I149 WeakPolarHBondContact CA-O 3.5Å; G130-I149 PolarHBondContact N-O 2.82Å; L135-I149 HydrophobicContact CD1-CG1 4.14Å; I149-T151 HydrophobicContact CG2-CG2 4.06Å
150I96.9Very high96.4Very high26 Ų2661.6 Ų61.613%0.13335%0.354CS..  trans-119.4128.9169.6-66.9177.9000107.9E129 K148 G186 L189 F190E129-I150 WeakPolarHBondContact OE1-CA 3.49Å; K148-I150 HydrophobicContact CG-CG1 4.5Å; I150-G186 VanDerWaalsContact CD1-C 3.5Å; I150-L189 HydrophobicContact CG2-CD2 4.42Å; I150-F190 HydrophobicContact CG2-CB 4.45Å
151T97.8Very high96.5Very high47 Ų4759 Ų5929%0.28834%0.335SS..  trans-116.1148.5178.869.90000111.1E129 I149 T153 N154 S155E129-T151 VanDerWaalsContact CD-N 3.34Å; E129-T151 PolarHBondContact OE1-N 3.17Å; E129-T151 WeakPolarHBondContact OE2-CB 3.44Å; E129-T151 WeakPolarHBondContact OE2-CG2 3.43Å; E129-T151 PolarHBondContact OE2-N 3.47Å; E129-T151 PolarHBondContact OE2-OG1 2.94Å; I149-T151 HydrophobicContact CG2-CG2 4.06Å; T151-T153 VanDerWaalsContact C-N 3.32Å; T151-T153 PolarHBondContact O-N 2.87Å; T151-N154 PolarHBondContact O-N 3.02Å; T151-N154 WeakPolarHBondContact OG1-CB 3.24Å; T151-N154 PolarHBondContact OG1-N 2.83Å; T151-N154 PolarHBondContact OG1-ND2 3.35Å; T151-S155 VanDerWaalsContact O-CB 3.32Å; T151-S155 WeakPolarHBondContact O-CB 3.38Å; T151-S155 PolarHBondContact O-N 2.9Å; T151-S155 PolarHBondContact O-OG 3.42Å
152R98.5Very high96.7Very high97 Ų9753.2 Ų53.237%0.36629%0.294SS..Hα-helixtrans-60.7-42.8176.1-179.8165.7173.276.4-3.4111.5N154 S155 L156 L189 E196R152-N154 PolarHBondContact O-N 2.92Å; R152-S155 PolarHBondContact O-N 3.43Å; R152-L156 HydrophobicContact CG-CD1 3.81Å; R152-L156 HydrophobicContact CG-CG 4.27Å; R152-L156 WeakPolarHBondContact O-CB 3.36Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 3.25Å; R152-L189 HydrophobicContact CB-CD1 4.23Å; R152-L189 HydrophobicContact CB-CD2 4.41Å; R152-E196 IonicContact CZ-OE1 3.31Å; R152-E196 IonicContact CZ-OE2 2.97Å; R152-E196 IonicContact NH1-OE2 2.92Å; R152-E196 PolarHBondContact NH1-OE2 3.27Å; R152-E196 IonicContact NH2-OE1 2.89Å; R152-E196 PolarHBondContact NH2-OE1 3.39Å; R152-E196 IonicContact NH2-OE2 2.57Å; R152-E196 PolarHBondContact NH2-OE2 2.81Å
153T98.2Very high96.8Very high104 Ų10450 Ų5064%0.63826%0.262SS*.Hα-helixtrans-58.5-48.6-179.4-52.90000111.9T151 R157T151-T153 VanDerWaalsContact C-N 3.32Å; T151-T153 PolarHBondContact O-N 2.87Å; T153-R157 PolarHBondContact O-N 3.08Å
154N97.6Very high96.9Very high28 Ų2851.1 Ų51.115%0.1526%0.262CS..Hα-helixtrans-73.3-34.3-178.6-69.7-15.6000112.2E129 T151 R152 R157 I158E129-N154 VanDerWaalsContact CD-CB 3.4Å; E129-N154 HydrophobicContact CG-CB 4.09Å; E129-N154 WeakPolarHBondContact OE2-CB 3.26Å; E129-N154 PolarHBondContact OE2-ND2 3.46Å; T151-N154 PolarHBondContact O-N 3.02Å; T151-N154 WeakPolarHBondContact OG1-CB 3.24Å; T151-N154 PolarHBondContact OG1-N 2.83Å; T151-N154 PolarHBondContact OG1-ND2 3.35Å; R152-N154 PolarHBondContact O-N 2.92Å; N154-R157 VanDerWaalsContact O-CG 3.26Å; N154-R157 WeakPolarHBondContact O-CG 3.37Å; N154-R157 PolarHBondContact OD1-NE 3.18Å; N154-R157 PolarHBondContact OD1-NH2 2.94Å; N154-R157 VanDerWaalsContact OD1-NH2 3.11Å; N154-I158 WeakPolarHBondContact O-CG2 3.49Å; N154-I158 PolarHBondContact O-N 3.29Å
155S98.6Very high97.1Very high1 Ų147.6 Ų47.61%0.00724%0.24CC..Hα-helixtrans-66-39.6174.2-62.80000112.8T151 R152 I158 A159T151-S155 VanDerWaalsContact O-CB 3.32Å; T151-S155 WeakPolarHBondContact O-CB 3.38Å; T151-S155 PolarHBondContact O-N 2.9Å; T151-S155 PolarHBondContact O-OG 3.42Å; R152-S155 PolarHBondContact O-N 3.43Å; S155-I158 WeakPolarHBondContact O-CG2 3.24Å; S155-A159 WeakPolarHBondContact O-CB 3.36Å; S155-A159 PolarHBondContact O-N 2.95Å
156L98.7Very high97.3Very high32 Ų3243.7 Ų43.717%0.16822%0.221CC..Hα-helixtrans-66-51.4176.2-75.9169.8000111.3R152 I158 A159 E160 C193 V197R152-L156 HydrophobicContact CG-CD1 3.81Å; R152-L156 HydrophobicContact CG-CG 4.27Å; R152-L156 WeakPolarHBondContact O-CB 3.36Å; R152-L156 WeakPolarHBondContact O-CG 3.26Å; R152-L156 PolarHBondContact O-N 3.25Å; L156-I158 VanDerWaalsContact C-N 3.32Å; L156-I158 PolarHBondContact O-N 3.02Å; L156-A159 PolarHBondContact O-N 3.45Å; L156-A159 VanDerWaalsContact O-N 3.17Å; L156-E160 WeakPolarHBondContact O-CB 3.31Å; L156-E160 WeakPolarHBondContact O-CG 3.34Å; L156-E160 PolarHBondContact O-N 3.3Å; L156-C193 HydrophobicContact CD2-CB 3.87Å; L156-C193 HydrophobicContact CG-CB 4.09Å; L156-V197 HydrophobicContact CD2-CG2 3.91Å
157R98.4Very high97.6Very high43 Ų4344.9 Ų44.916%0.16221%0.214CC..Hα-helixtrans-62.6-35.4-17769.9-176.8-177.4167.3-3.1113.6D98 Y100 T128 T153 N154 Y161D98-R157 IonicContact OD1-CZ 3.69Å; D98-R157 VanDerWaalsContact OD1-CZ 3.31Å; D98-R157 IonicContact OD1-NH1 3.72Å; D98-R157 PolarHBondContact OD1-NH1 3.27Å; D98-R157 IonicContact OD1-NH2 3.38Å; D98-R157 PolarHBondContact OD1-NH2 2.84Å; D98-R157 IonicContact OD2-NH1 2.84Å; D98-R157 PolarHBondContact OD2-NH1 3.3Å; Y100-R157 HydrophobicContact CD2-CG 3.83Å; Y100-R157 HydrophobicContact CE2-CB 4.24Å; Y100-R157 HydrophobicContact CE2-CG 3.97Å; Y100-R157 HydrophobicContact CG-CG 4.35Å; T128-R157 PolarHBondContact OG1-NH2 2.84Å; T153-R157 PolarHBondContact O-N 3.08Å; N154-R157 VanDerWaalsContact O-CG 3.26Å; N154-R157 WeakPolarHBondContact O-CG 3.37Å; N154-R157 PolarHBondContact OD1-NE 3.18Å; N154-R157 PolarHBondContact OD1-NH2 2.94Å; N154-R157 VanDerWaalsContact OD1-NH2 3.11Å; R157-Y161 VanDerWaalsContact O-CB 3.26Å; R157-Y161 WeakPolarHBondContact O-CB 3.48Å; R157-Y161 PolarHBondContact O-N 2.83Å
158I98.6Very high97.8Very high1 Ų147.1 Ų47.11%0.00522%0.222CC..Hα-helixtrans-74.1-36.3177.8-166.763.2000111.3Y100 A101 I124 E126 N154 S155 L156 A162 F190 V229Y100-I158 HydrophobicContact CD2-CD1 4.2Å; Y100-I158 HydrophobicContact CE2-CD1 4.47Å; A101-I158 HydrophobicContact CB-CD1 3.6Å; I124-I158 HydrophobicContact CG2-CD1 3.62Å; I124-I158 HydrophobicContact CG2-CG1 4.11Å; E126-I158 HydrophobicContact CB-CG1 4.21Å; E126-I158 HydrophobicContact CB-CG2 4.31Å; E126-I158 HydrophobicContact CG-CB 4.49Å; E126-I158 HydrophobicContact CG-CG2 4.28Å; N154-I158 WeakPolarHBondContact O-CG2 3.49Å; N154-I158 PolarHBondContact O-N 3.29Å; S155-I158 WeakPolarHBondContact O-CG2 3.24Å; L156-I158 VanDerWaalsContact C-N 3.32Å; L156-I158 PolarHBondContact O-N 3.02Å; I158-A162 WeakPolarHBondContact O-CB 3.25Å; I158-A162 PolarHBondContact O-N 3.26Å; I158-F190 HydrophobicContact CG2-CE2 4.02Å; I158-V229 HydrophobicContact CG1-CG2 4.16Å; I158-V229 HydrophobicContact CG2-CG2 4.5Å
159A98.7Very high97.9Very high0 Ų050.5 Ų50.50%024%0.237CC..Hα-helixtrans-65.6-48.1173.200000110.9S155 L156 Y161 A162 F163 V197S155-A159 WeakPolarHBondContact O-CB 3.36Å; S155-A159 PolarHBondContact O-N 2.95Å; L156-A159 PolarHBondContact O-N 3.45Å; L156-A159 VanDerWaalsContact O-N 3.17Å; A159-Y161 VanDerWaalsContact C-N 3.32Å; A159-Y161 PolarHBondContact O-N 2.99Å; A159-A162 WeakPolarHBondContact O-CB 3.38Å; A159-A162 PolarHBondContact O-N 3.48Å; A159-F163 WeakPolarHBondContact O-CD2 3.33Å; A159-F163 PolarHBondContact O-N 3.25Å; A159-V197 HydrophobicContact CB-CB 4.08Å; A159-V197 HydrophobicContact CB-CG1 4.37Å; A159-V197 HydrophobicContact CB-CG2 3.86Å
160E98.6Very high98Very high97 Ų9749.9 Ų49.945%0.45325%0.249SC..Hα-helixtrans-55.3-48.2175.2-74.7172.8-174.500111.4L156 A162 F163 Q164 V197L156-E160 WeakPolarHBondContact O-CB 3.31Å; L156-E160 WeakPolarHBondContact O-CG 3.34Å; L156-E160 PolarHBondContact O-N 3.3Å; E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3.25Å; E160-F163 PolarHBondContact O-N 3.45Å; E160-Q164 VanDerWaalsContact O-CB 3.29Å; E160-Q164 WeakPolarHBondContact O-CB 3.39Å; E160-Q164 PolarHBondContact O-N 3.4Å; E160-V197 HydrophobicContact CB-CG1 4.49Å; E160-V197 HydrophobicContact CG-CG1 4.01Å; E160-V197 HydrophobicContact CG-CG2 3.75Å
161Y98.6Very high98.1Very high37 Ų3750.9 Ų50.915%0.14525%0.251CS..Hα-helixtrans-58.3-41.5175.7-175.9-85.8000111.8Y100 A101 V103 I124 R157 A159 L165 Y257Y100-Y161 HydrophobicContact CE2-CD2 4.49Å; Y100-Y161 HydrophobicContact CE2-CG 4.39Å; A101-Y161 HydrophobicContact CB-CD1 3.77Å; A101-Y161 HydrophobicContact CB-CD2 4.31Å; A101-Y161 HydrophobicContact CB-CE1 3.89Å; A101-Y161 HydrophobicContact CB-CE2 4.39Å; A101-Y161 HydrophobicContact CB-CG 4.01Å; V103-Y161 HydrophobicContact CG2-CE1 3.51Å; I124-Y161 HydrophobicContact CG2-CD1 3.99Å; I124-Y161 HydrophobicContact CG2-CE1 4.46Å; R157-Y161 VanDerWaalsContact O-CB 3.26Å; R157-Y161 WeakPolarHBondContact O-CB 3.48Å; R157-Y161 PolarHBondContact O-N 2.83Å; A159-Y161 VanDerWaalsContact C-N 3.32Å; A159-Y161 PolarHBondContact O-N 2.99Å; Y161-L165 HydrophobicContact CE1-CB 4.41Å; Y161-L165 HydrophobicContact CE1-CD2 4.06Å; Y161-L165 VanDerWaalsContact O-CB 3.26Å; Y161-L165 WeakPolarHBondContact O-CB 3.36Å; Y161-L165 PolarHBondContact O-N 3.46Å; Y161-Y257 AromaticContact CZ-CD2 3.92Å; Y161-Y257 WeakPolarHBondContact OH-CD2 3.33Å; Y161-Y257 WeakPolarHBondContact OH-CE2 3.39Å
162A98.7Very high98.1Very high0 Ų058.1 Ų58.10%027%0.272CS..Hα-helixtrans-64.4-46.2179.700000113.4I124 I158 A159 E160 A166 V229I124-A162 HydrophobicContact CB-CB 4.38Å; I124-A162 VanDerWaalsContact CD1-CA 3.44Å; I124-A162 HydrophobicContact CD1-CB 3.64Å; I124-A162 HydrophobicContact CG2-CB 4.19Å; I158-A162 WeakPolarHBondContact O-CB 3.25Å; I158-A162 PolarHBondContact O-N 3.26Å; A159-A162 WeakPolarHBondContact O-CB 3.38Å; A159-A162 PolarHBondContact O-N 3.48Å; E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3.25Å; A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.29Å; A162-A166 PolarHBondContact O-N 3.27Å; A162-V229 HydrophobicContact CB-CB 3.79Å; A162-V229 HydrophobicContact CB-CG1 4.43Å; A162-V229 HydrophobicContact CB-CG2 3.8Å
163F98.7Very high98.1Very high0 Ų058.2 Ų58.20%027%0.273CS..Hα-helixtrans-69.2-39.9177.7-83.6-85.6000112.4A159 E160 A166 R167 V174 V197 A198 Y201 I204 F206A159-F163 WeakPolarHBondContact O-CD2 3.33Å; A159-F163 PolarHBondContact O-N 3.25Å; E160-F163 PolarHBondContact O-N 3.45Å; F163-A166 PolarHBondContact O-N 3.16Å; F163-R167 PolarHBondContact O-N 2.92Å; F163-V174 HydrophobicContact CD1-CB 4.43Å; F163-V174 HydrophobicContact CD1-CG2 4.06Å; F163-V174 HydrophobicContact CD2-CG1 4.35Å; F163-V174 HydrophobicContact CE1-CB 3.99Å; F163-V174 HydrophobicContact CE1-CG1 4.46Å; F163-V174 HydrophobicContact CE1-CG2 4.09Å; F163-V174 HydrophobicContact CE2-CB 4.34Å; F163-V174 HydrophobicContact CE2-CG1 3.92Å; F163-V174 HydrophobicContact CG-CG2 4.37Å; F163-V174 HydrophobicContact CZ-CB 3.93Å; F163-V174 HydrophobicContact CZ-CG1 3.98Å; F163-V174 HydrophobicContact CZ-CG2 4.42Å; F163-V197 HydrophobicContact CB-CG1 4.26Å; F163-V197 HydrophobicContact CD2-CB 4.39Å; F163-V197 HydrophobicContact CD2-CG1 3.63Å; F163-V197 HydrophobicContact CE2-CG1 4.29Å; F163-V197 HydrophobicContact CG-CG1 4.14Å; F163-A198 HydrophobicContact CE1-CB 3.98Å; F163-A198 HydrophobicContact CE2-CB 4.04Å; F163-A198 HydrophobicContact CZ-CB 3.4Å; F163-A198 VanDerWaalsContact CZ-CB 3.4Å; F163-Y201 HydrophobicContact CB-CD1 3.73Å; F163-Y201 HydrophobicContact CB-CD2 3.71Å; F163-Y201 HydrophobicContact CB-CE1 3.76Å; F163-Y201 HydrophobicContact CB-CE2 3.72Å; F163-Y201 HydrophobicContact CB-CG 3.74Å; F163-Y201 HydrophobicContact CD1-CD1 4.27Å; F163-Y201 HydrophobicContact CD1-CD2 4.09Å; F163-Y201 AromaticContact CD1-CG 3.75Å; F163-Y201 HydrophobicContact CD1-CG 3.75Å; F163-Y201 HydrophobicContact CG-CD1 4.44Å; F163-Y201 AromaticContact CG-CD2 4Å; F163-Y201 HydrophobicContact CG-CD2 4Å; F163-Y201 HydrophobicContact CG-CE2 4.42Å; F163-Y201 HydrophobicContact CG-CG 4.03Å; F163-I204 HydrophobicContact CD1-CB 4.1Å; F163-I204 HydrophobicContact CD1-CD1 4Å; F163-I204 HydrophobicContact CD1-CG2 3.88Å; F163-I204 HydrophobicContact CE1-CB 4.15Å; F163-I204 HydrophobicContact CE1-CG2 3.75Å; F163-I204 WeakPolarHBondContact O-CD1 3.29Å; F163-F206 HydrophobicContact CE1-CB 4.49Å; F163-F206 HydrophobicContact CE2-CD2 4.24Å; F163-F206 HydrophobicContact CZ-CB 4.13Å; F163-F206 AromaticContact CZ-CD2 3.59Å; F163-F206 HydrophobicContact CZ-CD2 3.59Å; F163-F206 HydrophobicContact CZ-CE2 4.38Å; F163-F206 HydrophobicContact CZ-CG 4.17Å
164Q98.1Very high98.1Very high95 Ų9553.2 Ų53.244%0.44424%0.242SC..Hα-helixtrans-60.9-50174.3-178.5-179.9-6.500111E160 A166 R167 E168E160-Q164 VanDerWaalsContact O-CB 3.29Å; E160-Q164 WeakPolarHBondContact O-CB 3.39Å; E160-Q164 PolarHBondContact O-N 3.4Å; Q164-A166 VanDerWaalsContact C-N 3.3Å; Q164-A166 PolarHBondContact O-N 3.21Å; Q164-R167 PolarHBondContact O-N 3.43Å; Q164-E168 HydrophobicContact CG-CG 4.39Å; Q164-E168 WeakPolarHBondContact CG-OE1 2.97Å; Q164-E168 PolarHBondContact NE2-OE1 2.61Å; Q164-E168 WeakPolarHBondContact O-CG 3.5Å; Q164-E168 PolarHBondContact O-N 3.26Å
165L97.6Very high98.2Very high18 Ų1852 Ų529%0.09424%0.236CC..Hα-helixtrans-61.9-40.1178.7-176.266.2000111.4V103 M122 I124 Y161 E168 K169V103-L165 HydrophobicContact CG1-CD2 3.96Å; V103-L165 HydrophobicContact CG2-CD2 4.38Å; M122-L165 HydrophobicContact CE-CD2 4.48Å; M122-L165 HydrophobicContact CE-CG 4.38Å; M122-L165 HydrophobicContact SD-CD2 4.47Å; I124-L165 HydrophobicContact CD1-CB 4.39Å; I124-L165 HydrophobicContact CD1-CD2 3.79Å; I124-L165 HydrophobicContact CG1-CD2 4.38Å; Y161-L165 HydrophobicContact CE1-CB 4.41Å; Y161-L165 HydrophobicContact CE1-CD2 4.06Å; Y161-L165 VanDerWaalsContact O-CB 3.26Å; Y161-L165 WeakPolarHBondContact O-CB 3.36Å; Y161-L165 PolarHBondContact O-N 3.46Å; L165-E168 PolarHBondContact O-N 3.44Å; L165-K169 HydrophobicContact CD1-CG 3.97Å; L165-K169 HydrophobicContact CG-CG 4.33Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 VanDerWaalsContact O-CG 3.31Å; L165-K169 WeakPolarHBondContact O-CG 3.37Å; L165-K169 PolarHBondContact O-N 3.27Å
166A98.3Very high98.2Very high0 Ų051.9 Ų51.90%024%0.235CC..Hα-helixtrans-57.8-49.2175.100000111.2A162 F163 Q164 K169 G170 R171 V174 I204 V227A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.29Å; A162-A166 PolarHBondContact O-N 3.27Å; F163-A166 PolarHBondContact O-N 3.16Å; Q164-A166 VanDerWaalsContact C-N 3.3Å; Q164-A166 PolarHBondContact O-N 3.21Å; A166-K169 PolarHBondContact O-N 3.36Å; A166-G170 PolarHBondContact O-N 3.2Å; A166-G170 VanDerWaalsContact O-N 3.16Å; A166-R171 HydrophobicContact CB-CB 4.03Å; A166-R171 WeakPolarHBondContact O-CB 3.25Å; A166-R171 PolarHBondContact O-N 2.78Å; A166-V174 HydrophobicContact CB-CG2 3.72Å; A166-I204 HydrophobicContact CB-CD1 3.87Å; A166-V227 HydrophobicContact CB-CB 4.45Å; A166-V227 HydrophobicContact CB-CG2 3.87Å
167R97.8Very high98.2Very high109 Ų10950.4 Ų50.441%0.41123%0.227SC..Hα-helixtrans-62.3-47.8177.7-169.1179.5-77.5154.9-4.4112.2F163 Q164 K169 G170 Y201 D203 I204F163-R167 PolarHBondContact O-N 2.92Å; Q164-R167 PolarHBondContact O-N 3.43Å; R167-K169 PolarHBondContact O-N 3.41Å; R167-G170 PolarHBondContact O-N 3.47Å; R167-Y201 VanDerWaalsContact CZ-CE1 3.49Å; R167-Y201 VanDerWaalsContact NH1-CE1 3.31Å; R167-D203 IonicContact CZ-OD1 3.67Å; R167-D203 IonicContact CZ-OD2 3.69Å; R167-D203 IonicContact NE-OD1 3.72Å; R167-D203 IonicContact NE-OD2 3.24Å; R167-D203 PolarHBondContact NE-OD2 3.18Å; R167-D203 IonicContact NH2-OD1 3.74Å; R167-D203 PolarHBondContact NH2-OD1 3.36Å; R167-D203 IonicContact NH2-OD2 2.83Å; R167-I204 HydrophobicContact CB-CD1 4.07Å
168E96.4Very high98.2Very high128 Ų12849 Ų4960%0.59822%0.222SC*.Hα-helixtrans-60.2-33.4179.7-74.3177.7-172.900112.8Q164 L165Q164-E168 HydrophobicContact CG-CG 4.39Å; Q164-E168 WeakPolarHBondContact CG-OE1 2.97Å; Q164-E168 PolarHBondContact NE2-OE1 2.61Å; Q164-E168 WeakPolarHBondContact O-CG 3.5Å; Q164-E168 PolarHBondContact O-N 3.26Å; L165-E168 PolarHBondContact O-N 3.44Å
169K96.3Very high98.1Very high126 Ų12650.5 Ų50.555%0.54823%0.229SC..THydrogen-bonded Turntrans-91.75.3178.4-63.2-64.2-175.5-179.60113.5M122 L165 A166 R167 R171M122-K169 HydrophobicContact CE-CB 4.09Å; M122-K169 HydrophobicContact CE-CG 4.19Å; M122-K169 HydrophobicContact SD-CG 4.36Å; L165-K169 HydrophobicContact CD1-CG 3.97Å; L165-K169 HydrophobicContact CG-CG 4.33Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 VanDerWaalsContact O-CG 3.31Å; L165-K169 WeakPolarHBondContact O-CG 3.37Å; L165-K169 PolarHBondContact O-N 3.27Å; A166-K169 PolarHBondContact O-N 3.36Å; R167-K169 PolarHBondContact O-N 3.41Å; K169-R171 HydrophobicContact CB-CG 3.85Å; K169-R171 PolarHBondContact O-N 3.49Å
170G97.3Very high98Very high59 Ų5951.4 Ų51.461%0.60824%0.236SC*.THydrogen-bonded Turntrans66.124.6-179.900000114.1A166 R167A166-G170 PolarHBondContact O-N 3.2Å; A166-G170 VanDerWaalsContact O-N 3.16Å; R167-G170 PolarHBondContact O-N 3.47Å
171R98.1Very high97.9Very high47 Ų4750.5 Ų50.518%0.17724%0.235CC..  trans-80.9152.7178.8-58.3-86.6174.6-168.61.1109.7D120 M122 A166 K169 D226 V227D120-R171 IonicContact OD1-CZ 2.67Å; D120-R171 IonicContact OD1-NH1 3.27Å; D120-R171 IonicContact OD1-NH2 2.96Å; D120-R171 PolarHBondContact OD1-NH2 3.32Å; D120-R171 IonicContact OD2-CZ 3.61Å; D120-R171 VanDerWaalsContact OD2-CZ 3.24Å; D120-R171 IonicContact OD2-NH1 2.61Å; D120-R171 PolarHBondContact OD2-NH1 2.75Å; D120-R171 IonicContact OD2-NH2 3.69Å; D120-R171 PolarHBondContact OD2-NH2 3.47Å; M122-R171 HydrophobicContact CE-CG 3.53Å; A166-R171 HydrophobicContact CB-CB 4.03Å; A166-R171 WeakPolarHBondContact O-CB 3.25Å; A166-R171 PolarHBondContact O-N 2.78Å; K169-R171 HydrophobicContact CB-CG 3.85Å; K169-R171 PolarHBondContact O-N 3.49Å; R171-D226 WeakPolarHBondContact CB-OD2 3.32Å; R171-D226 WeakPolarHBondContact CD-OD1 3.26Å; R171-D226 IonicContact CZ-OD1 2.71Å; R171-D226 IonicContact NE-OD1 3.15Å; R171-D226 IonicContact NH1-OD1 2.55Å; R171-D226 PolarHBondContact NH1-OD1 3.33Å; R171-V227 HydrophobicContact CB-CG2 3.79Å; R171-V227 HydrophobicContact CG-CG2 3.89Å
172R97.8Very high97.8Very high198 Ų19854.4 Ų54.475%0.74726%0.257SS*.  trans-116.4-14.2-168-63.6-174.8-179.2-175.7-0.6113.9T205 D226R172-T205 WeakPolarHBondContact O-CB 3.33Å; R172-T205 PolarHBondContact O-N 3.01Å; R172-D226 PolarHBondContact N-OD2 3.24Å
173R98.6Very high97.7Very high99 Ų9957.4 Ų57.437%0.37427%0.272SS..EExtended strand (participates in β ladder)trans-136136-178.1-178178.5-67.11411.3112.3T205 D207 Q224 D226 V227R173-T205 CarbonylContact C-O 3.18Å; R173-T205 VanDerWaalsContact CA-O 3.27Å; R173-T205 WeakPolarHBondContact CA-O 3.36Å; R173-T205 HydrophobicContact CG-CG2 4.48Å; R173-D207 WeakPolarHBondContact CD-OD1 3.4Å; R173-D207 WeakPolarHBondContact CG-OD1 3.41Å; R173-Q224 PolarHBondContact NH1-O 3.14Å; R173-Q224 VanDerWaalsContact NH1-O 3.14Å; R173-D226 HydrophobicContact CB-CB 4.01Å; R173-D226 PolarHBondContact N-OD2 3.41Å; R173-D226 VanDerWaalsContact N-OD2 3.16Å; R173-V227 WeakPolarHBondContact O-CB 3.29Å; R173-V227 PolarHBondContact O-N 3.09Å
174V98.8Very high97.6Very high0 Ų065.1 Ų65.10%031%0.305CS..EExtended strand (participates in β ladder)trans-121.4118.2170175.60000109F163 A166 I204 T205 F206 D207 V227 V229F163-V174 HydrophobicContact CD1-CB 4.43Å; F163-V174 HydrophobicContact CD1-CG2 4.06Å; F163-V174 HydrophobicContact CD2-CG1 4.35Å; F163-V174 HydrophobicContact CE1-CB 3.99Å; F163-V174 HydrophobicContact CE1-CG1 4.46Å; F163-V174 HydrophobicContact CE1-CG2 4.09Å; F163-V174 HydrophobicContact CE2-CB 4.34Å; F163-V174 HydrophobicContact CE2-CG1 3.92Å; F163-V174 HydrophobicContact CG-CG2 4.37Å; F163-V174 HydrophobicContact CZ-CB 3.93Å; F163-V174 HydrophobicContact CZ-CG1 3.98Å; F163-V174 HydrophobicContact CZ-CG2 4.42Å; A166-V174 HydrophobicContact CB-CG2 3.72Å; V174-I204 HydrophobicContact CB-CG2 4.18Å; V174-I204 HydrophobicContact CG2-CG2 3.68Å; V174-T205 PolarHBondContact N-O 3.25Å; V174-F206 WeakPolarHBondContact O-CA 3.4Å; V174-F206 WeakPolarHBondContact O-CD2 3.27Å; V174-D207 PolarHBondContact O-N 2.94Å; V174-D207 VanDerWaalsContact O-N 3.15Å; V174-V227 CarbonylContact C-O 3.57Å; V174-V227 WeakPolarHBondContact CA-O 3.41Å; V174-V227 HydrophobicContact CG2-CB 3.99Å; V174-V227 HydrophobicContact CG2-CG1 4.2Å; V174-V229 HydrophobicContact CG1-CG1 3.91Å
175T98.9Very high97.6Very high1 Ų167.9 Ų67.91%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-103.8118.9177-51.50000110.4D207 M209 F225 V227 M228 V229T175-D207 CarbonylContact C-O 3.58Å; T175-D207 VanDerWaalsContact CA-O 3.31Å; T175-D207 WeakPolarHBondContact CA-O 3.36Å; T175-D207 WeakPolarHBondContact CA-OD1 3.38Å; T175-D207 WeakPolarHBondContact CB-OD1 3.45Å; T175-D207 WeakPolarHBondContact CG2-OD2 3.35Å; T175-D207 PolarHBondContact OG1-OD1 3.38Å; T175-D207 PolarHBondContact OG1-OD2 3.26Å; T175-M209 HydrophobicContact CG2-CB 4.09Å; T175-F225 HydrophobicContact CG2-CE1 4.39Å; T175-V227 PolarHBondContact N-O 3.24Å; T175-M228 WeakPolarHBondContact O-CA 3.36Å; T175-V229 PolarHBondContact O-N 2.82Å
176A98.8Very high97.5Very high0 Ų068.3 Ų68.30%033%0.331CS..EExtended strand (participates in β ladder)trans-82.3118.4172.100000111F190 L191 C194 F206 D207 S208 M209 V229A176-F190 HydrophobicContact CB-CE1 4.37Å; A176-L191 HydrophobicContact CB-CD1 4.12Å; A176-C194 HydrophobicContact CB-CB 4.05Å; A176-F206 HydrophobicContact CB-CE2 3.77Å; A176-F206 HydrophobicContact CB-CZ 3.98Å; A176-D207 PolarHBondContact N-O 3.4Å; A176-S208 CarbonylContact O-C 3.57Å; A176-S208 VanDerWaalsContact O-CA 3.27Å; A176-S208 WeakPolarHBondContact O-CA 3.39Å; A176-M209 PolarHBondContact O-N 3.13Å; A176-V229 WeakPolarHBondContact CA-O 3.31Å; A176-V229 HydrophobicContact CB-CG1 4.16Å
177V98.8Very high97.5Very high0 Ų068.3 Ų68.30%033%0.331CS..EExtended strand (participates in β ladder)trans-97.5127.5178.8-176.50000110.4M209 V211 T214 M228 V229 M230 P231V177-M209 WeakPolarHBondContact CA-O 3.4Å; V177-V211 HydrophobicContact CG1-CB 3.77Å; V177-V211 HydrophobicContact CG1-CG2 3.98Å; V177-T214 HydrophobicContact CG1-CG2 4.11Å; V177-T214 HydrophobicContact CG2-CG2 3.84Å; V177-M228 HydrophobicContact CG2-CE 3.59Å; V177-V229 PolarHBondContact N-O 3.45Å; V177-M230 HydrophobicContact CB-CB 3.91Å; V177-M230 HydrophobicContact CB-CE 4.18Å; V177-M230 HydrophobicContact CB-SD 4.35Å; V177-M230 HydrophobicContact CG2-CE 3.89Å; V177-P231 WeakPolarHBondContact O-CD 3.32Å
178H98.3Very high97.5Very high13 Ų1364 Ų646%0.0632%0.32CS..EExtended strand (participates in β ladder)trans-152.5179.3-172.86577.2000113A180 D187 L191 M209 I210 V211H178-A180 WeakPolarHBondContact ND1-CB 3.33Å; H178-A180 PolarHBondContact ND1-N 3.06Å; H178-A180 VanDerWaalsContact ND1-N 3.18Å; H178-D187 HydrophobicContact CB-CB 4.43Å; H178-L191 WeakPolarHBondContact NE2-CD2 3Å; H178-M209 PolarHBondContact N-O 2.9Å; H178-M209 VanDerWaalsContact N-O 3.12Å; H178-I210 CarbonylContact O-C 3.39Å; H178-I210 WeakPolarHBondContact O-CA 3.37Å; H178-V211 PolarHBondContact O-N 3.11Å
179K97.5Very high97.6Very high34 Ų3460.1 Ų60.115%0.14830%0.304CS..  trans-134.133.7171-165.172.9-178.5-173.90111N181 I182 M183 D187 V211 D212 Y234K179-N181 PolarHBondContact O-N 3.36Å; K179-N181 PolarHBondContact O-OD1 3.28Å; K179-I182 HydrophobicContact CG-CB 4.25Å; K179-I182 HydrophobicContact CG-CG1 4.32Å; K179-I182 PolarHBondContact O-N 3.11Å; K179-M183 HydrophobicContact CB-CE 3.65Å; K179-M183 HydrophobicContact CG-CE 3.93Å; K179-M183 PolarHBondContact O-N 3Å; K179-D187 WeakPolarHBondContact CA-OD2 3.3Å; K179-D187 PolarHBondContact N-OD2 2.93Å; K179-V211 HydrophobicContact CB-CG1 4.18Å; K179-V211 HydrophobicContact CD-CG1 3.85Å; K179-V211 HydrophobicContact CG-CG1 4.46Å; K179-D212 IonicContact NZ-OD1 3.75Å; K179-D212 PolarHBondContact NZ-OD1 3.37Å; K179-D212 IonicContact NZ-OD2 2.56Å; K179-D212 PolarHBondContact NZ-OD2 3.22Å; K179-Y234 HydrophobicContact CB-CE2 4.42Å
180A97Very high97.7Very high18 Ų1854.2 Ų54.215%0.14928%0.278CS..THydrogen-bonded Turntrans-55.9-15.9178.600000115.6H178 I182 D187 L191H178-A180 WeakPolarHBondContact ND1-CB 3.33Å; H178-A180 PolarHBondContact ND1-N 3.06Å; H178-A180 VanDerWaalsContact ND1-N 3.18Å; A180-I182 VanDerWaalsContact C-N 3.27Å; A180-I182 PolarHBondContact O-N 3.32Å; A180-D187 HydrophobicContact CB-CB 4.05Å; A180-L191 HydrophobicContact CB-CD2 4.34Å
181N95.4Very high97.8Very high79 Ų7951.8 Ų51.842%0.42225%0.251SS..THydrogen-bonded Turntrans-68.1-26.9171.562.9-39.6000112.9K179K179-N181 PolarHBondContact O-N 3.36Å; K179-N181 PolarHBondContact O-OD1 3.28Å
182I96.9Very high97.8Very high118 Ų11854.9 Ų54.961%0.60527%0.267SS*.THydrogen-bonded Turntrans-103.8-54.8174.9-56.5-59.6000110.1K179 A180 K184K179-I182 HydrophobicContact CG-CB 4.25Å; K179-I182 HydrophobicContact CG-CG1 4.32Å; K179-I182 PolarHBondContact O-N 3.11Å; A180-I182 VanDerWaalsContact C-N 3.27Å; A180-I182 PolarHBondContact O-N 3.32Å; I182-K184 PolarHBondContact O-N 2.81Å; I182-K184 VanDerWaalsContact O-N 3.15Å
183M96.5Very high97.9Very high63 Ų6345.5 Ų45.531%0.3123%0.232SC..  trans-90.273.5178.9-74.6166.5-68.600111.2K148 K179 L185 D187 G188 Y234K148-M183 HydrophobicContact CD-SD 4.22Å; K179-M183 HydrophobicContact CB-CE 3.65Å; K179-M183 HydrophobicContact CG-CE 3.93Å; K179-M183 PolarHBondContact O-N 3Å; M183-L185 VanDerWaalsContact C-N 3.26Å; M183-L185 PolarHBondContact O-N 2.87Å; M183-D187 HydrophobicContact CB-CB 4.14Å; M183-D187 WeakPolarHBondContact O-CB 3.47Å; M183-D187 PolarHBondContact O-N 3.08Å; M183-G188 PolarHBondContact O-N 3.11Å; M183-Y234 WeakPolarHBondContact CE-OH 3.43Å
184K96.3Very high97.9Very high162 Ų16240.8 Ų40.870%0.70421%0.214SC*.THydrogen-bonded Turntrans-59.2-32.4-173.1-61179.9-175.4177.20114.2I182 G188I182-K184 PolarHBondContact O-N 2.81Å; I182-K184 VanDerWaalsContact O-N 3.15Å; K184-G188 WeakPolarHBondContact O-CA 3.43Å
185L97.8Very high97.9Very high154 Ų15447.2 Ų47.281%0.80624%0.238SC*.THydrogen-bonded Turntrans-86.5-61.6-179.4-64.2179.5000112.2M183 L189M183-L185 VanDerWaalsContact C-N 3.26Å; M183-L185 PolarHBondContact O-N 2.87Å; L185-L189 VanDerWaalsContact O-CB 3.27Å; L185-L189 WeakPolarHBondContact O-CB 3.39Å; L185-L189 PolarHBondContact O-N 3.26Å
186G96.4Very high97.9Very high26 Ų2651.1 Ų51.127%0.26826%0.257SS..Hα-helixtrans-63.1-60.7-175.500000113I150 G188 L189 F190I150-G186 VanDerWaalsContact CD1-C 3.5Å; G186-G188 VanDerWaalsContact C-N 3.29Å; G186-G188 PolarHBondContact O-N 2.96Å; G186-L189 WeakPolarHBondContact O-CB 3.26Å; G186-L189 PolarHBondContact O-N 3.21Å; G186-F190 PolarHBondContact O-N 2.9Å
187D97.8Very high97.9Very high0 Ų051.7 Ų51.70%026%0.26CS..Hα-helixtrans-72.1-25.9179.4-83.438.5000112.4K148 H178 K179 A180 M183 F190 L191 Y234K148-D187 IonicContact NZ-OD1 2.9Å; K148-D187 PolarHBondContact NZ-OD1 3.2Å; H178-D187 HydrophobicContact CB-CB 4.43Å; K179-D187 WeakPolarHBondContact CA-OD2 3.3Å; K179-D187 PolarHBondContact N-OD2 2.93Å; A180-D187 HydrophobicContact CB-CB 4.05Å; M183-D187 HydrophobicContact CB-CB 4.14Å; M183-D187 WeakPolarHBondContact O-CB 3.47Å; M183-D187 PolarHBondContact O-N 3.08Å; D187-F190 PolarHBondContact O-N 2.88Å; D187-L191 WeakPolarHBondContact O-CB 3.37Å; D187-L191 PolarHBondContact O-N 3.37Å; D187-Y234 VanDerWaalsContact OD2-CE2 3.23Å; D187-Y234 WeakPolarHBondContact OD2-CE2 3.33Å
188G98.3Very high97.9Very high19 Ų1952.4 Ų52.420%0.19627%0.266CS..Hα-helixtrans-63.7-42.4170.600000112.4M183 K184 G186 L191 Q192M183-G188 PolarHBondContact O-N 3.11Å; K184-G188 WeakPolarHBondContact O-CA 3.43Å; G186-G188 VanDerWaalsContact C-N 3.29Å; G186-G188 PolarHBondContact O-N 2.96Å; G188-L191 PolarHBondContact O-N 3.36Å; G188-Q192 WeakPolarHBondContact O-CB 3.5Å; G188-Q192 PolarHBondContact O-N 2.84Å
189L98.7Very high97.8Very high47 Ų4756.5 Ų56.525%0.24630%0.296CS..Hα-helixtrans-61.7-46.9174.1175.862.4000111.3I150 R152 L185 G186 L191 Q192 C193I150-L189 HydrophobicContact CG2-CD2 4.42Å; R152-L189 HydrophobicContact CB-CD1 4.23Å; R152-L189 HydrophobicContact CB-CD2 4.41Å; L185-L189 VanDerWaalsContact O-CB 3.27Å; L185-L189 WeakPolarHBondContact O-CB 3.39Å; L185-L189 PolarHBondContact O-N 3.26Å; G186-L189 WeakPolarHBondContact O-CB 3.26Å; G186-L189 PolarHBondContact O-N 3.21Å; L189-L191 PolarHBondContact O-N 2.96Å; L189-Q192 PolarHBondContact O-N 2.88Å; L189-C193 PolarHBondContact O-N 3.05Å; L189-C193 PolarHBondContact O-SG 2.87Å
190F98.7Very high97.9Very high2 Ų257.3 Ų57.31%0.00931%0.314CS..Hα-helixtrans-55.8-51175.8171.9-96.8000111.3I150 I158 A176 G186 D187 Q192 C193 C194 V229 P231I150-F190 HydrophobicContact CG2-CB 4.45Å; I158-F190 HydrophobicContact CG2-CE2 4.02Å; A176-F190 HydrophobicContact CB-CE1 4.37Å; G186-F190 PolarHBondContact O-N 2.9Å; D187-F190 PolarHBondContact O-N 2.88Å; F190-Q192 VanDerWaalsContact C-N 3.32Å; F190-Q192 PolarHBondContact O-N 2.99Å; F190-C193 WeakPolarHBondContact O-CB 3.31Å; F190-C193 PolarHBondContact O-N 2.96Å; F190-C193 VanDerWaalsContact O-N 3.15Å; F190-C194 VanDerWaalsContact CZ-SG 3.54Å; F190-C194 PolarHBondContact O-N 3.15Å; F190-C194 PolarHBondContact O-SG 2.93Å; F190-V229 HydrophobicContact CZ-CG1 4.5Å; F190-V229 HydrophobicContact CZ-CG2 4.24Å; F190-P231 HydrophobicContact CB-CG 4.44Å; F190-P231 HydrophobicContact CD1-CG 3.87Å; F190-P231 HydrophobicContact CD2-CG 4.02Å; F190-P231 HydrophobicContact CE1-CG 4.12Å; F190-P231 HydrophobicContact CE2-CG 4.24Å; F190-P231 HydrophobicContact CG-CG 3.83Å; F190-P231 HydrophobicContact CZ-CG 4.3Å
191L98.6Very high97.9Very high8 Ų858.3 Ų58.34%0.04231%0.314CS..Hα-helixtrans-62.4-37.6180179.758.7000112.6A176 H178 A180 D187 G188 L189 C194 R195 F206A176-L191 HydrophobicContact CB-CD1 4.12Å; H178-L191 WeakPolarHBondContact NE2-CD2 3Å; A180-L191 HydrophobicContact CB-CD2 4.34Å; D187-L191 WeakPolarHBondContact O-CB 3.37Å; D187-L191 PolarHBondContact O-N 3.37Å; G188-L191 PolarHBondContact O-N 3.36Å; L189-L191 PolarHBondContact O-N 2.96Å; L191-C194 PolarHBondContact O-N 2.95Å; L191-R195 VanDerWaalsContact CD2-NH2 3.32Å; L191-R195 WeakPolarHBondContact O-CG 3.48Å; L191-R195 PolarHBondContact O-N 2.93Å; L191-F206 HydrophobicContact CD1-CZ 4.23Å
192Q98.7Very high97.9Very high112 Ų11260.3 Ų60.352%0.52333%0.331SS..Hα-helixtrans-62.5-44.5174.1-177.2179.70.400111.4G188 L189 F190 C194 R195 E196G188-Q192 WeakPolarHBondContact O-CB 3.5Å; G188-Q192 PolarHBondContact O-N 2.84Å; L189-Q192 PolarHBondContact O-N 2.88Å; F190-Q192 VanDerWaalsContact C-N 3.32Å; F190-Q192 PolarHBondContact O-N 2.99Å; Q192-C194 VanDerWaalsContact C-N 3.34Å; Q192-C194 PolarHBondContact O-N 2.79Å; Q192-R195 PolarHBondContact O-N 3.01Å; Q192-E196 WeakPolarHBondContact O-CB 3.35Å; Q192-E196 PolarHBondContact O-N 2.95Å
193C98.8Very high97.9Very high0 Ų059 Ų590%033%0.326CS..Hα-helixtrans-62-41.6176.5-62.10000111.4L156 L189 F190 R195 E196 V197L156-C193 HydrophobicContact CD2-CB 3.87Å; L156-C193 HydrophobicContact CG-CB 4.09Å; L189-C193 PolarHBondContact O-N 3.05Å; L189-C193 PolarHBondContact O-SG 2.87Å; F190-C193 WeakPolarHBondContact O-CB 3.31Å; F190-C193 PolarHBondContact O-N 2.96Å; F190-C193 VanDerWaalsContact O-N 3.15Å; C193-R195 PolarHBondContact O-N 3.37Å; C193-E196 PolarHBondContact O-N 2.93Å; C193-V197 WeakPolarHBondContact O-CG2 3.37Å; C193-V197 PolarHBondContact O-N 3.02Å
194C98.8Very high98Very high0 Ų056.4 Ų56.40%031%0.313CS..Hα-helixtrans-60.8-42.5174.8-65.70000112.5A176 F190 L191 Q192 V197 A198 F206A176-C194 HydrophobicContact CB-CB 4.05Å; F190-C194 VanDerWaalsContact CZ-SG 3.54Å; F190-C194 PolarHBondContact O-N 3.15Å; F190-C194 PolarHBondContact O-SG 2.93Å; L191-C194 PolarHBondContact O-N 2.95Å; Q192-C194 VanDerWaalsContact C-N 3.34Å; Q192-C194 PolarHBondContact O-N 2.79Å; C194-V197 PolarHBondContact O-N 3.05Å; C194-A198 VanDerWaalsContact O-CB 3.3Å; C194-A198 WeakPolarHBondContact O-CB 3.45Å; C194-A198 PolarHBondContact O-N 2.97Å; C194-F206 HydrophobicContact CB-CE2 3.87Å; C194-F206 HydrophobicContact CB-CZ 3.93Å
195R98.7Very high98.1Very high135 Ų13552.4 Ų52.451%0.50930%0.302SS..Hα-helixtrans-63.9-41.5176.7-75.5171.9-176.4152.40.6112.5L191 Q192 C193 A198 S199 F206L191-R195 VanDerWaalsContact CD2-NH2 3.32Å; L191-R195 WeakPolarHBondContact O-CG 3.48Å; L191-R195 PolarHBondContact O-N 2.93Å; Q192-R195 PolarHBondContact O-N 3.01Å; C193-R195 PolarHBondContact O-N 3.37Å; R195-A198 WeakPolarHBondContact O-CB 3.37Å; R195-A198 PolarHBondContact O-N 3.48Å; R195-S199 PolarHBondContact O-N 3.46Å; R195-F206 HydrophobicContact CB-CE1 4.42Å; R195-F206 HydrophobicContact CG-CD1 4.41Å; R195-F206 HydrophobicContact CG-CE1 3.47Å; R195-F206 VanDerWaalsContact CG-CE1 3.47Å; R195-F206 HydrophobicContact CG-CZ 3.95Å
196E98.6Very high98.2Very high83 Ų8347.7 Ų47.739%0.38828%0.275SS..Hα-helixtrans-61-49.6177.1178.6176.517700111R152 Q192 C193 A198 S199R152-E196 IonicContact CZ-OE1 3.31Å; R152-E196 IonicContact CZ-OE2 2.97Å; R152-E196 IonicContact NH1-OE2 2.92Å; R152-E196 PolarHBondContact NH1-OE2 3.27Å; R152-E196 IonicContact NH2-OE1 2.89Å; R152-E196 PolarHBondContact NH2-OE1 3.39Å; R152-E196 IonicContact NH2-OE2 2.57Å; R152-E196 PolarHBondContact NH2-OE2 2.81Å; Q192-E196 WeakPolarHBondContact O-CB 3.35Å; Q192-E196 PolarHBondContact O-N 2.95Å; C193-E196 PolarHBondContact O-N 2.93Å; E196-A198 VanDerWaalsContact C-N 3.34Å; E196-A198 PolarHBondContact O-N 3.43Å; E196-S199 WeakPolarHBondContact O-CB 3.33Å; E196-S199 PolarHBondContact O-N 3.3Å; E196-S199 PolarHBondContact O-OG 3.18Å
197V98.7Very high98.3Very high13 Ų1348.8 Ų48.88%0.07928%0.275CS..Hα-helixtrans-61.5-43.9175.6174.90000110.9L156 A159 E160 F163 C193 C194 S199 G200 Y201L156-V197 HydrophobicContact CD2-CG2 3.91Å; A159-V197 HydrophobicContact CB-CB 4.08Å; A159-V197 HydrophobicContact CB-CG1 4.37Å; A159-V197 HydrophobicContact CB-CG2 3.86Å; E160-V197 HydrophobicContact CB-CG1 4.49Å; E160-V197 HydrophobicContact CG-CG1 4.01Å; E160-V197 HydrophobicContact CG-CG2 3.75Å; F163-V197 HydrophobicContact CB-CG1 4.26Å; F163-V197 HydrophobicContact CD2-CB 4.39Å; F163-V197 HydrophobicContact CD2-CG1 3.63Å; F163-V197 HydrophobicContact CE2-CG1 4.29Å; F163-V197 HydrophobicContact CG-CG1 4.14Å; C193-V197 WeakPolarHBondContact O-CG2 3.37Å; C193-V197 PolarHBondContact O-N 3.02Å; C194-V197 PolarHBondContact O-N 3.05Å; V197-S199 PolarHBondContact O-N 3.04Å; V197-S199 VanDerWaalsContact O-N 3.11Å; V197-G200 PolarHBondContact O-N 2.82Å; V197-Y201 HydrophobicContact CG1-CD2 4.17Å; V197-Y201 HydrophobicContact CG1-CE2 3.9Å; V197-Y201 WeakPolarHBondContact O-CD2 3.4Å
198A98.6Very high98.3Very high14 Ų1451.1 Ų51.112%0.11629%0.291CS..Hα-helixtrans-54.6-33179.500000113.2F163 C194 R195 E196 G200 Y201 F206F163-A198 HydrophobicContact CE1-CB 3.98Å; F163-A198 HydrophobicContact CE2-CB 4.04Å; F163-A198 HydrophobicContact CZ-CB 3.4Å; F163-A198 VanDerWaalsContact CZ-CB 3.4Å; C194-A198 VanDerWaalsContact O-CB 3.3Å; C194-A198 WeakPolarHBondContact O-CB 3.45Å; C194-A198 PolarHBondContact O-N 2.97Å; R195-A198 WeakPolarHBondContact O-CB 3.37Å; R195-A198 PolarHBondContact O-N 3.48Å; E196-A198 VanDerWaalsContact C-N 3.34Å; E196-A198 PolarHBondContact O-N 3.43Å; A198-G200 PolarHBondContact O-N 2.86Å; A198-Y201 CarbonylContact O-C 3.43Å; A198-Y201 PolarHBondContact O-N 3.31Å; A198-F206 HydrophobicContact CB-CB 3.74Å; A198-F206 HydrophobicContact CB-CD1 4.06Å; A198-F206 HydrophobicContact CB-CD2 4.03Å; A198-F206 HydrophobicContact CB-CG 3.65Å
199S98Very high98.3Very high100 Ų10051.3 Ų51.370%0.69929%0.287SS*.THydrogen-bonded Turntrans-61.6-24.3177.575.90000113.7R195 E196 V197R195-S199 PolarHBondContact O-N 3.46Å; E196-S199 WeakPolarHBondContact O-CB 3.33Å; E196-S199 PolarHBondContact O-N 3.3Å; E196-S199 PolarHBondContact O-OG 3.18Å; V197-S199 PolarHBondContact O-N 3.04Å; V197-S199 VanDerWaalsContact O-N 3.11Å
200G98Very high98.3Very high50 Ų5051.9 Ų51.952%0.51529%0.29SS..THydrogen-bonded Turntrans-84.6-2.4173.500000114.8V197 A198 P202V197-G200 PolarHBondContact O-N 2.82Å; A198-G200 PolarHBondContact O-N 2.86Å; G200-P202 VanDerWaalsContact C-CD 3.5Å
201Y98Very high98.3Very high39 Ų3952.5 Ų52.515%0.15329%0.294CS..  trans-129.263.7-177.1-65.6-103.1000111.4F163 R167 V197 A198 D203 I204F163-Y201 HydrophobicContact CB-CD1 3.73Å; F163-Y201 HydrophobicContact CB-CD2 3.71Å; F163-Y201 HydrophobicContact CB-CE1 3.76Å; F163-Y201 HydrophobicContact CB-CE2 3.72Å; F163-Y201 HydrophobicContact CB-CG 3.74Å; F163-Y201 HydrophobicContact CD1-CD1 4.27Å; F163-Y201 HydrophobicContact CD1-CD2 4.09Å; F163-Y201 AromaticContact CD1-CG 3.75Å; F163-Y201 HydrophobicContact CD1-CG 3.75Å; F163-Y201 HydrophobicContact CG-CD1 4.44Å; F163-Y201 AromaticContact CG-CD2 4Å; F163-Y201 HydrophobicContact CG-CD2 4Å; F163-Y201 HydrophobicContact CG-CE2 4.42Å; F163-Y201 HydrophobicContact CG-CG 4.03Å; R167-Y201 VanDerWaalsContact CZ-CE1 3.49Å; R167-Y201 VanDerWaalsContact NH1-CE1 3.31Å; V197-Y201 HydrophobicContact CG1-CD2 4.17Å; V197-Y201 HydrophobicContact CG1-CE2 3.9Å; V197-Y201 WeakPolarHBondContact O-CD2 3.4Å; A198-Y201 CarbonylContact O-C 3.43Å; A198-Y201 PolarHBondContact O-N 3.31Å; Y201-D203 PolarHBondContact O-N 2.87Å; Y201-D203 VanDerWaalsContact O-N 3.13Å; Y201-I204 HydrophobicContact CD1-CD1 3.99Å; Y201-I204 PolarHBondContact O-N 3.18Å
202P96.2Very high98.2Very high121 Ų12156.2 Ų56.279%0.78631%0.314SS*.THydrogen-bonded Turntrans-65-17.9-175.528.6-36.6000114G200 I204G200-P202 VanDerWaalsContact C-CD 3.5Å; P202-I204 VanDerWaalsContact C-N 3.31Å
203D96.7Very high98.2Very high91 Ų9153.4 Ų53.449%0.48730%0.302SS..THydrogen-bonded Turntrans-75.5-14.7174.555.4-50000113.8R167 Y201R167-D203 IonicContact CZ-OD1 3.67Å; R167-D203 IonicContact CZ-OD2 3.69Å; R167-D203 IonicContact NE-OD1 3.72Å; R167-D203 IonicContact NE-OD2 3.24Å; R167-D203 PolarHBondContact NE-OD2 3.18Å; R167-D203 IonicContact NH2-OD1 3.74Å; R167-D203 PolarHBondContact NH2-OD1 3.36Å; R167-D203 IonicContact NH2-OD2 2.83Å; Y201-D203 PolarHBondContact O-N 2.87Å; Y201-D203 VanDerWaalsContact O-N 3.13Å
204I98.4Very high98.2Very high9 Ų953.4 Ų53.45%0.04630%0.302CS..SBendtrans-110.1124.9-178.6-63.4175.7000109.2F163 A166 R167 V174 Y201 P202 F206F163-I204 HydrophobicContact CD1-CB 4.1Å; F163-I204 HydrophobicContact CD1-CD1 4Å; F163-I204 HydrophobicContact CD1-CG2 3.88Å; F163-I204 HydrophobicContact CE1-CB 4.15Å; F163-I204 HydrophobicContact CE1-CG2 3.75Å; F163-I204 WeakPolarHBondContact O-CD1 3.29Å; A166-I204 HydrophobicContact CB-CD1 3.87Å; R167-I204 HydrophobicContact CB-CD1 4.07Å; V174-I204 HydrophobicContact CB-CG2 4.18Å; V174-I204 HydrophobicContact CG2-CG2 3.68Å; Y201-I204 HydrophobicContact CD1-CD1 3.99Å; Y201-I204 PolarHBondContact O-N 3.18Å; P202-I204 VanDerWaalsContact C-N 3.31Å; I204-F206 PolarHBondContact O-N 3.12Å
205T98.6Very high98.2Very high78 Ų7855.4 Ų55.448%0.47932%0.315SS..EExtended strand (participates in β ladder)trans-66.8122.9173.1-58.70000109.6R172 R173 V174R172-T205 WeakPolarHBondContact O-CB 3.33Å; R172-T205 PolarHBondContact O-N 3.01Å; R173-T205 CarbonylContact C-O 3.18Å; R173-T205 VanDerWaalsContact CA-O 3.27Å; R173-T205 WeakPolarHBondContact CA-O 3.36Å; R173-T205 HydrophobicContact CG-CG2 4.48Å; V174-T205 PolarHBondContact N-O 3.25Å
206F98.7Very high98.1Very high54 Ų5454.1 Ų54.124%0.23732%0.316CS..EExtended strand (participates in β ladder)trans-104.3131.4173.8174.9-104.8000111.2F163 V174 A176 L191 C194 R195 A198 I204F163-F206 HydrophobicContact CE1-CB 4.49Å; F163-F206 HydrophobicContact CE2-CD2 4.24Å; F163-F206 HydrophobicContact CZ-CB 4.13Å; F163-F206 AromaticContact CZ-CD2 3.59Å; F163-F206 HydrophobicContact CZ-CD2 3.59Å; F163-F206 HydrophobicContact CZ-CE2 4.38Å; F163-F206 HydrophobicContact CZ-CG 4.17Å; V174-F206 WeakPolarHBondContact O-CA 3.4Å; V174-F206 WeakPolarHBondContact O-CD2 3.27Å; A176-F206 HydrophobicContact CB-CE2 3.77Å; A176-F206 HydrophobicContact CB-CZ 3.98Å; L191-F206 HydrophobicContact CD1-CZ 4.23Å; C194-F206 HydrophobicContact CB-CE2 3.87Å; C194-F206 HydrophobicContact CB-CZ 3.93Å; R195-F206 HydrophobicContact CB-CE1 4.42Å; R195-F206 HydrophobicContact CG-CD1 4.41Å; R195-F206 HydrophobicContact CG-CE1 3.47Å; R195-F206 VanDerWaalsContact CG-CE1 3.47Å; R195-F206 HydrophobicContact CG-CZ 3.95Å; A198-F206 HydrophobicContact CB-CB 3.74Å; A198-F206 HydrophobicContact CB-CD1 4.06Å; A198-F206 HydrophobicContact CB-CD2 4.03Å; A198-F206 HydrophobicContact CB-CG 3.65Å; I204-F206 PolarHBondContact O-N 3.12Å
207D98.1Very high98.1Very high49 Ų4952.4 Ų52.426%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-138.4169.4169.670.2-57.4000111.1R173 V174 T175 A176R173-D207 WeakPolarHBondContact CD-OD1 3.4Å; R173-D207 WeakPolarHBondContact CG-OD1 3.41Å; V174-D207 PolarHBondContact O-N 2.94Å; V174-D207 VanDerWaalsContact O-N 3.15Å; T175-D207 CarbonylContact C-O 3.58Å; T175-D207 VanDerWaalsContact CA-O 3.31Å; T175-D207 WeakPolarHBondContact CA-O 3.36Å; T175-D207 WeakPolarHBondContact CA-OD1 3.38Å; T175-D207 WeakPolarHBondContact CB-OD1 3.45Å; T175-D207 WeakPolarHBondContact CG2-OD2 3.35Å; T175-D207 PolarHBondContact OG1-OD1 3.38Å; T175-D207 PolarHBondContact OG1-OD2 3.26Å; A176-D207 PolarHBondContact N-O 3.4Å
208S98.3Very high98.1Very high49 Ų4951.8 Ų51.834%0.34330%0.304SS..EExtended strand (participates in β ladder)trans-138.4141.117964.30000110.6A176A176-S208 CarbonylContact O-C 3.57Å; A176-S208 VanDerWaalsContact O-CA 3.27Å; A176-S208 WeakPolarHBondContact O-CA 3.39Å
209M98.6Very high98.1Very high23 Ų2354.8 Ų54.811%0.11332%0.321CS..EExtended strand (participates in β ladder)trans-136.7139.2-177.8-165.1175.8-64.300110.9T175 A176 V177 H178 N213 T214 Q217 F225T175-M209 HydrophobicContact CG2-CB 4.09Å; A176-M209 PolarHBondContact O-N 3.13Å; V177-M209 WeakPolarHBondContact CA-O 3.4Å; H178-M209 PolarHBondContact N-O 2.9Å; H178-M209 VanDerWaalsContact N-O 3.12Å; M209-N213 HydrophobicContact CG-CB 4.13Å; M209-N213 HydrophobicContact SD-CB 4.34Å; M209-T214 WeakPolarHBondContact CG-OG1 3.3Å; M209-T214 VanDerWaalsContact SD-CA 3.58Å; M209-Q217 HydrophobicContact CE-CG 4.31Å; M209-Q217 HydrophobicContact SD-CB 4.33Å; M209-Q217 HydrophobicContact SD-CG 3.89Å; M209-F225 HydrophobicContact CE-CE1 3.87Å; M209-F225 HydrophobicContact CE-CZ 4.01Å; M209-F225 HydrophobicContact SD-CE1 4.05Å; M209-F225 HydrophobicContact SD-CZ 3.85Å
210I98.4Very high98Very high59 Ų5953.7 Ų53.730%0.30331%0.313SS..EExtended strand (participates in β ladder)trans-67.1142171.660172.6000110.4H178 D212 N213 T214H178-I210 CarbonylContact O-C 3.39Å; H178-I210 WeakPolarHBondContact O-CA 3.37Å; I210-D212 VanDerWaalsContact C-N 3.29Å; I210-D212 PolarHBondContact O-N 3.43Å; I210-N213 HydrophobicContact CD1-CB 4.3Å; I210-N213 HydrophobicContact CG1-CB 3.68Å; I210-N213 PolarHBondContact O-N 3.24Å; I210-N213 VanDerWaalsContact O-N 3.12Å; I210-T214 PolarHBondContact O-N 3.17Å; I210-T214 PolarHBondContact O-OG1 2.93Å
211V98.1Very high98Very high15 Ų1557.5 Ų57.59%0.09132%0.315CS..Hα-helixtrans-59-37.3-172.763.60000112.9V177 H178 K179 T214 T215 Y234 V238V177-V211 HydrophobicContact CG1-CB 3.77Å; V177-V211 HydrophobicContact CG1-CG2 3.98Å; H178-V211 PolarHBondContact O-N 3.11Å; K179-V211 HydrophobicContact CB-CG1 4.18Å; K179-V211 HydrophobicContact CD-CG1 3.85Å; K179-V211 HydrophobicContact CG-CG1 4.46Å; V211-T214 VanDerWaalsContact O-CB 3.3Å; V211-T214 WeakPolarHBondContact O-CB 3.38Å; V211-T214 PolarHBondContact O-N 2.94Å; V211-T215 PolarHBondContact O-N 3.05Å; V211-T215 PolarHBondContact O-OG1 3.28Å; V211-Y234 HydrophobicContact CB-CD1 4.5Å; V211-Y234 HydrophobicContact CB-CG 4.36Å; V211-Y234 HydrophobicContact CG1-CD1 4.28Å; V211-Y234 HydrophobicContact CG1-CE1 4.46Å; V211-Y234 HydrophobicContact CG2-CD1 4.11Å; V211-Y234 HydrophobicContact CG2-CG 4.04Å; V211-V238 HydrophobicContact CG2-CG2 4.41Å
212D97.7Very high98Very high87 Ų8755.6 Ų55.647%0.46531%0.308SS..Hα-helixtrans-62.5-45.2176.4-55.922.3000112.5K179 I210 T214 T215 M216K179-D212 IonicContact NZ-OD1 3.75Å; K179-D212 PolarHBondContact NZ-OD1 3.37Å; K179-D212 IonicContact NZ-OD2 2.56Å; K179-D212 PolarHBondContact NZ-OD2 3.22Å; I210-D212 VanDerWaalsContact C-N 3.29Å; I210-D212 PolarHBondContact O-N 3.43Å; D212-T214 VanDerWaalsContact C-N 3.29Å; D212-T215 PolarHBondContact O-OG1 3.25Å; D212-M216 PolarHBondContact O-N 3.49Å; D212-M216 VanDerWaalsContact O-N 3.17Å
213N98.3Very high98.1Very high52 Ų5254 Ų5428%0.27829%0.29SS..Hα-helixtrans-68.7-36.5176.1-173.633.3000109.7M209 I210 T215 M216 Q217M209-N213 HydrophobicContact CG-CB 4.13Å; M209-N213 HydrophobicContact SD-CB 4.34Å; I210-N213 HydrophobicContact CD1-CB 4.3Å; I210-N213 HydrophobicContact CG1-CB 3.68Å; I210-N213 PolarHBondContact O-N 3.24Å; I210-N213 VanDerWaalsContact O-N 3.12Å; N213-T215 PolarHBondContact O-N 3.07Å; N213-M216 PolarHBondContact O-N 2.9Å; N213-M216 VanDerWaalsContact OD1-CE 3.25Å; N213-M216 WeakPolarHBondContact OD1-CE 3.37Å; N213-Q217 WeakPolarHBondContact O-CB 3Å; N213-Q217 VanDerWaalsContact O-CG 3.24Å; N213-Q217 WeakPolarHBondContact O-CG 3.35Å; N213-Q217 PolarHBondContact O-N 2.72Å; N213-Q217 PolarHBondContact OD1-NE2 3.36Å
214T98.6Very high98.2Very high0 Ų052.3 Ų52.30%028%0.279CS..Hα-helixtrans-57.7-47.9177.2-53.90000111.2V177 M209 I210 V211 D212 Q217 L218 F225 M228V177-T214 HydrophobicContact CG1-CG2 4.11Å; V177-T214 HydrophobicContact CG2-CG2 3.84Å; M209-T214 WeakPolarHBondContact CG-OG1 3.3Å; M209-T214 VanDerWaalsContact SD-CA 3.58Å; I210-T214 PolarHBondContact O-N 3.17Å; I210-T214 PolarHBondContact O-OG1 2.93Å; V211-T214 VanDerWaalsContact O-CB 3.3Å; V211-T214 WeakPolarHBondContact O-CB 3.38Å; V211-T214 PolarHBondContact O-N 2.94Å; D212-T214 VanDerWaalsContact C-N 3.29Å; T214-Q217 PolarHBondContact O-N 3.41Å; T214-L218 HydrophobicContact CG2-CD1 4.06Å; T214-L218 HydrophobicContact CG2-CG 4.44Å; T214-L218 WeakPolarHBondContact O-CB 3.12Å; T214-L218 VanDerWaalsContact O-CG 3.26Å; T214-L218 WeakPolarHBondContact O-CG 3.17Å; T214-L218 PolarHBondContact O-N 3.42Å; T214-F225 HydrophobicContact CG2-CE1 4.36Å; T214-F225 HydrophobicContact CG2-CZ 4.11Å; T214-M228 HydrophobicContact CG2-CE 3.3Å
215T98.1Very high98.2Very high42 Ų4252.3 Ų52.326%0.25828%0.279SS..Hα-helixtrans-65.8-39.6177.955.50000111.9V211 D212 N213 Q217 L218 V219V211-T215 PolarHBondContact O-N 3.05Å; V211-T215 PolarHBondContact O-OG1 3.28Å; D212-T215 PolarHBondContact O-OG1 3.25Å; N213-T215 PolarHBondContact O-N 3.07Å; T215-Q217 PolarHBondContact O-N 2.83Å; T215-L218 PolarHBondContact O-N 2.9Å; T215-V219 WeakPolarHBondContact O-CG2 3.14Å; T215-V219 PolarHBondContact O-N 3.48Å
216M98.1Very high98.1Very high108 Ų10849.8 Ų49.853%0.53226%0.262SS..Hα-helixtrans-61.3-42.7173.9-170.71786900112.2D212 N213 V219 S220D212-M216 PolarHBondContact O-N 3.49Å; D212-M216 VanDerWaalsContact O-N 3.17Å; N213-M216 PolarHBondContact O-N 2.9Å; N213-M216 VanDerWaalsContact OD1-CE 3.25Å; N213-M216 WeakPolarHBondContact OD1-CE 3.37Å; M216-V219 WeakPolarHBondContact O-CG2 2.97Å; M216-S220 WeakPolarHBondContact O-CB 3.42Å; M216-S220 PolarHBondContact O-N 3.3Å; M216-S220 PolarHBondContact O-OG 2.78Å
217Q98.5Very high98.2Very high47 Ų4747.2 Ų47.222%0.2225%0.251CS..Hα-helixtrans-69-38177.6-71.6-51-41.500112M209 N213 T214 T215 V219 S220 K221 F225M209-Q217 HydrophobicContact CE-CG 4.31Å; M209-Q217 HydrophobicContact SD-CB 4.33Å; M209-Q217 HydrophobicContact SD-CG 3.89Å; N213-Q217 WeakPolarHBondContact O-CB 3Å; N213-Q217 VanDerWaalsContact O-CG 3.24Å; N213-Q217 WeakPolarHBondContact O-CG 3.35Å; N213-Q217 PolarHBondContact O-N 2.72Å; N213-Q217 PolarHBondContact OD1-NE2 3.36Å; T214-Q217 PolarHBondContact O-N 3.41Å; T215-Q217 PolarHBondContact O-N 2.83Å; Q217-V219 PolarHBondContact O-N 2.63Å; Q217-S220 PolarHBondContact O-N 3.45Å; Q217-K221 CarbonylContact O-C 3.56Å; Q217-K221 WeakPolarHBondContact O-CA 3.35Å; Q217-K221 PolarHBondContact O-N 2.99Å; Q217-F225 HydrophobicContact CB-CE2 3.82Å; Q217-F225 HydrophobicContact CB-CZ 3.73Å
218L98.4Very high98.2Very high0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-62.7-40.8178.5-80.4169.2000112.5I121 T214 T215 S220 P222 F225 M228 V238 V241 L245I121-L218 HydrophobicContact CD1-CD2 3.9Å; T214-L218 HydrophobicContact CG2-CD1 4.06Å; T214-L218 HydrophobicContact CG2-CG 4.44Å; T214-L218 WeakPolarHBondContact O-CB 3.12Å; T214-L218 VanDerWaalsContact O-CG 3.26Å; T214-L218 WeakPolarHBondContact O-CG 3.17Å; T214-L218 PolarHBondContact O-N 3.42Å; T215-L218 PolarHBondContact O-N 2.9Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 3.01Å; L218-P222 HydrophobicContact CD2-CB 4.37Å; L218-P222 VanDerWaalsContact O-CB 3.27Å; L218-P222 WeakPolarHBondContact O-CB 3.44Å; L218-P222 VanDerWaalsContact O-CD 3.25Å; L218-P222 WeakPolarHBondContact O-CD 3.41Å; L218-P222 WeakPolarHBondContact O-CG 3.45Å; L218-F225 HydrophobicContact CD2-CD2 3.56Å; L218-F225 HydrophobicContact CD2-CE2 3.75Å; L218-F225 HydrophobicContact CD2-CG 4.48Å; L218-F225 HydrophobicContact CG-CD2 4.16Å; L218-F225 HydrophobicContact CG-CE2 3.8Å; L218-M228 HydrophobicContact CD1-CE 4.4Å; L218-M228 HydrophobicContact CD2-SD 4.46Å; L218-V238 HydrophobicContact CD1-CG1 3.75Å; L218-V241 HydrophobicContact CB-CG1 4.09Å; L218-V241 HydrophobicContact CD1-CG1 4.31Å; L218-L245 HydrophobicContact CB-CD1 4.23Å; L218-L245 HydrophobicContact CD2-CD1 4.39Å; L218-L245 WeakPolarHBondContact O-CD1 3.5Å
219V97.4Very high98.2Very high78 Ų7842.6 Ų42.647%0.47322%0.222SC..THydrogen-bonded Turntrans-81.9-7.2178.4-57.90000113.6H116 T215 M216 Q217 V241H116-V219 PolarHBondContact CE1-O 3.18Å; H116-V219 PolarHBondContact NE2-O 3.05Å; T215-V219 WeakPolarHBondContact O-CG2 3.14Å; T215-V219 PolarHBondContact O-N 3.48Å; M216-V219 WeakPolarHBondContact O-CG2 2.97Å; Q217-V219 PolarHBondContact O-N 2.63Å; V219-V241 HydrophobicContact CG1-CG1 4.14Å
220S97.6Very high98.2Very high76 Ų7641.5 Ų41.553%0.53122%0.217SC..THydrogen-bonded Turntrans-107.5-58.8-178.9-55.10000111.7M216 Q217 L218M216-S220 WeakPolarHBondContact O-CB 3.42Å; M216-S220 PolarHBondContact O-N 3.3Å; M216-S220 PolarHBondContact O-OG 2.78Å; Q217-S220 PolarHBondContact O-N 3.45Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 3.01Å
221K97.8Very high98.2Very high130 Ų13038.9 Ų38.957%0.56520%0.204SC*.  trans-137.871.5-177.9-169.9-178.8-178.51790110.5Q217 Q223 Q224Q217-K221 CarbonylContact O-C 3.56Å; Q217-K221 WeakPolarHBondContact O-CA 3.35Å; Q217-K221 PolarHBondContact O-N 2.99Å; K221-Q223 PolarHBondContact O-N 3.4Å; K221-Q224 WeakPolarHBondContact O-CG 3.36Å; K221-Q224 PolarHBondContact O-NE2 2.85Å
222P98.1Very high98Very high0 Ų038.2 Ų38.20%020%0.2CC..G310 helixtrans-64.9-24-177.321.5-29.2000114H116 I119 I121 L218 Q224 F225 L245H116-P222 HydrophobicContact CB-CG 4.05Å; I119-P222 HydrophobicContact CD1-CB 4.06Å; I119-P222 HydrophobicContact CD1-CG 3.69Å; I119-P222 HydrophobicContact CG1-CB 4.25Å; I119-P222 HydrophobicContact CG1-CG 3.95Å; I121-P222 HydrophobicContact CD1-CB 4.15Å; I121-P222 WeakPolarHBondContact CD1-O 3.38Å; L218-P222 HydrophobicContact CD2-CB 4.37Å; L218-P222 VanDerWaalsContact O-CB 3.27Å; L218-P222 WeakPolarHBondContact O-CB 3.44Å; L218-P222 VanDerWaalsContact O-CD 3.25Å; L218-P222 WeakPolarHBondContact O-CD 3.41Å; L218-P222 WeakPolarHBondContact O-CG 3.45Å; P222-Q224 PolarHBondContact O-N 3.27Å; P222-F225 WeakPolarHBondContact O-CD2 3.38Å; P222-F225 PolarHBondContact O-N 3.36Å; P222-L245 HydrophobicContact CB-CD1 3.95Å; P222-L245 HydrophobicContact CG-CD1 4.32Å
223Q98Very high97.7Very high86 Ų8637.2 Ų37.240%0.40219%0.194SC..G310 helixtrans-67.5-5.9-175.5-54.781.24.400114K117 K221 F225K117-Q223 PolarHBondContact O-NE2 2.81Å; K221-Q223 PolarHBondContact O-N 3.4Å; Q223-F225 VanDerWaalsContact C-N 3.32Å
224Q97.8Very high97.5Very high56 Ų5635.9 Ų35.926%0.26219%0.186SC..G310 helixtrans-77-21.3175.774.2-171.3-7300113.2R173 K221 P222R173-Q224 PolarHBondContact NH1-O 3.14Å; R173-Q224 VanDerWaalsContact NH1-O 3.14Å; K221-Q224 WeakPolarHBondContact O-CG 3.36Å; K221-Q224 PolarHBondContact O-NE2 2.85Å; P222-Q224 PolarHBondContact O-N 3.27Å
225F98.4Very high97.3Very high9 Ų935.9 Ų35.94%0.03919%0.186CC..  trans-89.5144.8-178.4-60.4-70.7000111.1I121 T175 M209 T214 Q217 L218 P222 Q223 M228I121-F225 HydrophobicContact CD1-CB 4.1Å; I121-F225 HydrophobicContact CG1-CB 4.16Å; I121-F225 HydrophobicContact CG2-CB 4.21Å; T175-F225 HydrophobicContact CG2-CE1 4.39Å; M209-F225 HydrophobicContact CE-CE1 3.87Å; M209-F225 HydrophobicContact CE-CZ 4.01Å; M209-F225 HydrophobicContact SD-CE1 4.05Å; M209-F225 HydrophobicContact SD-CZ 3.85Å; T214-F225 HydrophobicContact CG2-CE1 4.36Å; T214-F225 HydrophobicContact CG2-CZ 4.11Å; Q217-F225 HydrophobicContact CB-CE2 3.82Å; Q217-F225 HydrophobicContact CB-CZ 3.73Å; L218-F225 HydrophobicContact CD2-CD2 3.56Å; L218-F225 HydrophobicContact CD2-CE2 3.75Å; L218-F225 HydrophobicContact CD2-CG 4.48Å; L218-F225 HydrophobicContact CG-CD2 4.16Å; L218-F225 HydrophobicContact CG-CE2 3.8Å; P222-F225 WeakPolarHBondContact O-CD2 3.38Å; P222-F225 PolarHBondContact O-N 3.36Å; Q223-F225 VanDerWaalsContact C-N 3.32Å; F225-M228 HydrophobicContact CB-CG 4.15Å; F225-M228 HydrophobicContact CB-SD 3.83Å; F225-M228 HydrophobicContact CD1-CE 4.12Å; F225-M228 HydrophobicContact CD1-CG 4.18Å; F225-M228 HydrophobicContact CD1-SD 3.94Å; F225-M228 HydrophobicContact CD2-SD 4.39Å; F225-M228 HydrophobicContact CE1-CE 4.26Å; F225-M228 HydrophobicContact CG-CE 4.4Å; F225-M228 HydrophobicContact CG-CG 4.39Å; F225-M228 HydrophobicContact CG-SD 3.8Å
226D98.4Very high97Very high26 Ų2635.9 Ų35.914%0.13918%0.184CC..SBendtrans-121.3-84.1178-168.620.9000108.6I121 M122 R171 R172 R173I121-D226 WeakPolarHBondContact CA-O 3.47Å; M122-D226 PolarHBondContact N-O 2.96Å; R171-D226 WeakPolarHBondContact CB-OD2 3.32Å; R171-D226 WeakPolarHBondContact CD-OD1 3.26Å; R171-D226 IonicContact CZ-OD1 2.71Å; R171-D226 IonicContact NE-OD1 3.15Å; R171-D226 IonicContact NH1-OD1 2.55Å; R171-D226 PolarHBondContact NH1-OD1 3.33Å; R172-D226 PolarHBondContact N-OD2 3.24Å; R173-D226 HydrophobicContact CB-CB 4.01Å; R173-D226 PolarHBondContact N-OD2 3.41Å; R173-D226 VanDerWaalsContact N-OD2 3.16Å
227V98.8Very high96.8Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-104.1134168.5-175.40000110.1M122 I124 A166 R171 R173 V174 T175M122-V227 HydrophobicContact CB-CG2 4.34Å; M122-V227 HydrophobicContact CE-CG2 3.53Å; M122-V227 CarbonylContact O-C 3.59Å; M122-V227 WeakPolarHBondContact O-CA 3.36Å; I124-V227 HydrophobicContact CD1-CG1 3.54Å; I124-V227 HydrophobicContact CG1-CG1 4.25Å; A166-V227 HydrophobicContact CB-CB 4.45Å; A166-V227 HydrophobicContact CB-CG2 3.87Å; R171-V227 HydrophobicContact CB-CG2 3.79Å; R171-V227 HydrophobicContact CG-CG2 3.89Å; R173-V227 WeakPolarHBondContact O-CB 3.29Å; R173-V227 PolarHBondContact O-N 3.09Å; V174-V227 CarbonylContact C-O 3.57Å; V174-V227 WeakPolarHBondContact CA-O 3.41Å; V174-V227 HydrophobicContact CG2-CB 3.99Å; V174-V227 HydrophobicContact CG2-CG1 4.2Å; T175-V227 PolarHBondContact N-O 3.24Å
228M98.8Very high96.7Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-121.6127.8177.6-58.5174.167.500109.7I121 M122 I124 T175 V177 T214 L218 F225 M230 V238I121-M228 HydrophobicContact CG2-CG 4.12Å; I121-M228 HydrophobicContact CG2-SD 3.66Å; M122-M228 PolarHBondContact O-N 3.28Å; I124-M228 PolarHBondContact N-O 3.05Å; T175-M228 WeakPolarHBondContact O-CA 3.36Å; V177-M228 HydrophobicContact CG2-CE 3.59Å; T214-M228 HydrophobicContact CG2-CE 3.3Å; L218-M228 HydrophobicContact CD1-CE 4.4Å; L218-M228 HydrophobicContact CD2-SD 4.46Å; F225-M228 HydrophobicContact CB-CG 4.15Å; F225-M228 HydrophobicContact CB-SD 3.83Å; F225-M228 HydrophobicContact CD1-CE 4.12Å; F225-M228 HydrophobicContact CD1-CG 4.18Å; F225-M228 HydrophobicContact CD1-SD 3.94Å; F225-M228 HydrophobicContact CD2-SD 4.39Å; F225-M228 HydrophobicContact CE1-CE 4.26Å; F225-M228 HydrophobicContact CG-CE 4.4Å; F225-M228 HydrophobicContact CG-CG 4.39Å; F225-M228 HydrophobicContact CG-SD 3.8Å; M228-M230 HydrophobicContact CB-CE 3.59Å; M228-M230 HydrophobicContact CE-CE 4.08Å; M228-V238 HydrophobicContact CE-CG1 3.93Å
229V98.8Very high96.6Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-116.8134.8177.165.60000110.6I124 I158 A162 V174 T175 A176 V177 F190I124-V229 HydrophobicContact CG2-CG2 4.44Å; I124-V229 VanDerWaalsContact O-CA 3.31Å; I124-V229 WeakPolarHBondContact O-CA 3.33Å; I158-V229 HydrophobicContact CG1-CG2 4.16Å; I158-V229 HydrophobicContact CG2-CG2 4.5Å; A162-V229 HydrophobicContact CB-CB 3.79Å; A162-V229 HydrophobicContact CB-CG1 4.43Å; A162-V229 HydrophobicContact CB-CG2 3.8Å; V174-V229 HydrophobicContact CG1-CG1 3.91Å; T175-V229 PolarHBondContact O-N 2.82Å; A176-V229 WeakPolarHBondContact CA-O 3.31Å; A176-V229 HydrophobicContact CB-CG1 4.16Å; V177-V229 PolarHBondContact N-O 3.45Å; F190-V229 HydrophobicContact CZ-CG1 4.5Å; F190-V229 HydrophobicContact CZ-CG2 4.24Å
230M98.4Very high96.5Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-157.6158.7-174.864.8-160.378.100115.2I123 I124 E126 V177 M228 G235 V238I123-M230 HydrophobicContact CG2-CE 3.87Å; I123-M230 HydrophobicContact CG2-SD 4.42Å; I124-M230 PolarHBondContact O-N 2.99Å; E126-M230 PolarHBondContact N-O 3.47Å; V177-M230 HydrophobicContact CB-CB 3.91Å; V177-M230 HydrophobicContact CB-CE 4.18Å; V177-M230 HydrophobicContact CB-SD 4.35Å; V177-M230 HydrophobicContact CG2-CE 3.89Å; M228-M230 HydrophobicContact CB-CE 3.59Å; M228-M230 HydrophobicContact CE-CE 4.08Å; M230-G235 VanDerWaalsContact CG-CA 3.45Å; M230-G235 WeakPolarHBondContact SD-CA 3.42Å; M230-G235 PolarHBondContact SD-N 2.82Å; M230-V238 HydrophobicContact CE-CB 4.33Å; M230-V238 HydrophobicContact CE-CG1 3.96Å; M230-V238 HydrophobicContact SD-CB 3.75Å; M230-V238 HydrophobicContact SD-CG1 4.06Å; M230-V238 HydrophobicContact SD-CG2 3.92Å
231P97.3Very high96.5Very high5 Ų530.4 Ų30.43%0.03215%0.154CC..  trans-61.5165.9169.3-21.433.4000113.2V177 F190 L233 Y234 G235V177-P231 WeakPolarHBondContact O-CD 3.32Å; F190-P231 HydrophobicContact CB-CG 4.44Å; F190-P231 HydrophobicContact CD1-CG 3.87Å; F190-P231 HydrophobicContact CD2-CG 4.02Å; F190-P231 HydrophobicContact CE1-CG 4.12Å; F190-P231 HydrophobicContact CE2-CG 4.24Å; F190-P231 HydrophobicContact CG-CG 3.83Å; F190-P231 HydrophobicContact CZ-CG 4.3Å; P231-L233 PolarHBondContact O-N 3.4Å; P231-Y234 HydrophobicContact CB-CD2 4.31Å; P231-Y234 HydrophobicContact CB-CE2 4.47Å; P231-Y234 HydrophobicContact CG-CD2 4.23Å; P231-Y234 HydrophobicContact CG-CE2 4.36Å; P231-G235 PolarHBondContact O-N 2.88Å
232N94Very high96.5Very high0 Ų024.2 Ų24.20%013%0.127CC..Hα-helixtrans-56.9-54.9-164.8-159.5-25.2000115.2R125 E126 E129 Y132 G235 N236R125-N232 PolarHBondContact NE-O 3.2Å; R125-N232 PolarHBondContact NE-OD1 2.88Å; R125-N232 PolarHBondContact NH2-O 3.12Å; R125-N232 PolarHBondContact NH2-OD1 2.92Å; E126-N232 WeakPolarHBondContact O-CA 3.49Å; E126-N232 VanDerWaalsContact O-CB 3.24Å; E126-N232 WeakPolarHBondContact O-CB 3.46Å; E126-N232 PolarHBondContact O-OD1 2.91Å; E129-N232 VanDerWaalsContact O-CB 3.22Å; E129-N232 WeakPolarHBondContact O-CB 3.32Å; E129-N232 PolarHBondContact O-ND2 2.81Å; Y132-N232 WeakPolarHBondContact CB-ND2 3.37Å; Y132-N232 HydrophobicContact CD2-CB 4.38Å; N232-G235 PolarHBondContact O-N 3.49Å; N232-N236 PolarHBondContact O-N 2.98Å
233L92.9Very high96.4Very high66 Ų6624.3 Ų24.335%0.34613%0.128SC..Hα-helixtrans-64.9-45.4-176.5179.862.4000113.1E131 P231 G235 N236 V237E131-L233 HydrophobicContact CB-CB 4.12Å; E131-L233 HydrophobicContact CB-CD2 4.36Å; E131-L233 HydrophobicContact CG-CB 3.88Å; E131-L233 HydrophobicContact CG-CD2 3.78Å; E131-L233 HydrophobicContact CG-CG 4.42Å; E131-L233 WeakPolarHBondContact OE2-CB 3.42Å; E131-L233 PolarHBondContact OE2-N 2.87Å; P231-L233 PolarHBondContact O-N 3.4Å; L233-G235 VanDerWaalsContact C-N 3.27Å; L233-G235 PolarHBondContact O-N 2.91Å; L233-N236 WeakPolarHBondContact O-CB 3.39Å; L233-N236 PolarHBondContact O-N 3.43Å; L233-N236 VanDerWaalsContact O-N 3.11Å; L233-V237 PolarHBondContact O-N 3.05Å
234Y94Very high96.3Very high25 Ų2522.7 Ų22.710%0.09813%0.134CC..Hα-helixtrans-64-38.3179.1-49.3-37.1000111.1K148 K179 M183 D187 V211 P231 N236 V237 V238K148-Y234 PolarHBondContact NZ-OH 2.89Å; K148-Y234 VanDerWaalsContact NZ-OH 3.08Å; K179-Y234 HydrophobicContact CB-CE2 4.42Å; M183-Y234 WeakPolarHBondContact CE-OH 3.43Å; D187-Y234 VanDerWaalsContact OD2-CE2 3.23Å; D187-Y234 WeakPolarHBondContact OD2-CE2 3.33Å; V211-Y234 HydrophobicContact CB-CD1 4.5Å; V211-Y234 HydrophobicContact CB-CG 4.36Å; V211-Y234 HydrophobicContact CG1-CD1 4.28Å; V211-Y234 HydrophobicContact CG1-CE1 4.46Å; V211-Y234 HydrophobicContact CG2-CD1 4.11Å; V211-Y234 HydrophobicContact CG2-CG 4.04Å; P231-Y234 HydrophobicContact CB-CD2 4.31Å; P231-Y234 HydrophobicContact CB-CE2 4.47Å; P231-Y234 HydrophobicContact CG-CD2 4.23Å; P231-Y234 HydrophobicContact CG-CE2 4.36Å; Y234-N236 VanDerWaalsContact C-N 3.27Å; Y234-N236 PolarHBondContact O-N 2.87Å; Y234-V237 PolarHBondContact O-N 3.09Å; Y234-V237 VanDerWaalsContact O-N 3.14Å; Y234-V238 WeakPolarHBondContact O-CB 3.16Å; Y234-V238 WeakPolarHBondContact O-CG2 3.44Å; Y234-V238 PolarHBondContact O-N 3.43Å
235G93.2Very high96.3Very high0 Ų020.8 Ų20.80%013%0.125CC..Hα-helixtrans-50.5-49.3170.800000111.8M230 P231 N232 L233 V237 S239M230-G235 VanDerWaalsContact CG-CA 3.45Å; M230-G235 WeakPolarHBondContact SD-CA 3.42Å; M230-G235 PolarHBondContact SD-N 2.82Å; P231-G235 PolarHBondContact O-N 2.88Å; N232-G235 PolarHBondContact O-N 3.49Å; L233-G235 VanDerWaalsContact C-N 3.27Å; L233-G235 PolarHBondContact O-N 2.91Å; G235-V237 PolarHBondContact O-N 3.5Å; G235-S239 WeakPolarHBondContact O-CB 3.39Å; G235-S239 PolarHBondContact O-N 2.83Å; G235-S239 PolarHBondContact O-OG 2.9Å
236N91.6Very high96.2Very high41 Ų4120.4 Ų20.422%0.21912%0.124CC..Hα-helixtrans-60.4-45.3178.8-158.263.6000112.8R125 N232 L233 Y234 N240R125-N236 PolarHBondContact NH1-OD1 3.02Å; N232-N236 PolarHBondContact O-N 2.98Å; L233-N236 WeakPolarHBondContact O-CB 3.39Å; L233-N236 PolarHBondContact O-N 3.43Å; L233-N236 VanDerWaalsContact O-N 3.11Å; Y234-N236 VanDerWaalsContact C-N 3.27Å; Y234-N236 PolarHBondContact O-N 2.87Å; N236-N240 PolarHBondContact O-N 2.78Å; N236-N240 PolarHBondContact O-ND2 3.03Å
237V94.9Very high96Very high71 Ų7120.1 Ų20.143%0.4313%0.127SC..Hα-helixtrans-67.2-51.5-178.4176.60000110.8L233 Y234 G235 S239 N240 V241L233-V237 PolarHBondContact O-N 3.05Å; Y234-V237 PolarHBondContact O-N 3.09Å; Y234-V237 VanDerWaalsContact O-N 3.14Å; G235-V237 PolarHBondContact O-N 3.5Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.89Å; V237-N240 PolarHBondContact O-N 3.31Å; V237-N240 VanDerWaalsContact O-N 3.13Å; V237-V241 PolarHBondContact O-N 2.72Å
238V97.1Very high95.8Very high0 Ų020.6 Ų20.60%013%0.132CC..Hα-helixtrans-61.9-41.7-178.8170.70000111.1I123 V211 L218 M228 M230 Y234 N240 V241 C242I123-V238 HydrophobicContact CD1-CG1 4.26Å; V211-V238 HydrophobicContact CG2-CG2 4.41Å; L218-V238 HydrophobicContact CD1-CG1 3.75Å; M228-V238 HydrophobicContact CE-CG1 3.93Å; M230-V238 HydrophobicContact CE-CB 4.33Å; M230-V238 HydrophobicContact CE-CG1 3.96Å; M230-V238 HydrophobicContact SD-CB 3.75Å; M230-V238 HydrophobicContact SD-CG1 4.06Å; M230-V238 HydrophobicContact SD-CG2 3.92Å; Y234-V238 WeakPolarHBondContact O-CB 3.16Å; Y234-V238 WeakPolarHBondContact O-CG2 3.44Å; Y234-V238 PolarHBondContact O-N 3.43Å; V238-N240 VanDerWaalsContact C-N 3.33Å; V238-N240 PolarHBondContact O-N 2.79Å; V238-V241 PolarHBondContact O-N 2.91Å; V238-C242 PolarHBondContact O-N 2.94Å; V238-C242 PolarHBondContact O-SG 3.01Å; V238-C242 VanDerWaalsContact O-SG 3.4Å
239S95.4Very high95.6Very high6 Ų623.3 Ų23.34%0.04215%0.15CC..Hα-helixtrans-55.6-44.6173-74.90000112.7M104 G235 V237 C242 A243M104-S239 WeakPolarHBondContact CE-O 3.42Å; M104-S239 WeakPolarHBondContact SD-CB 3.28Å; M104-S239 PolarHBondContact SD-OG 2.99Å; M104-S239 VanDerWaalsContact SD-OG 3.39Å; G235-S239 WeakPolarHBondContact O-CB 3.39Å; G235-S239 PolarHBondContact O-N 2.83Å; G235-S239 PolarHBondContact O-OG 2.9Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 2.89Å; S239-C242 PolarHBondContact O-N 2.89Å; S239-A243 PolarHBondContact O-N 3.36Å
240N95.4Very high95.4Very high78 Ų7823.9 Ų23.942%0.41716%0.156SC..Hα-helixtrans-68.7-37.8178.8-79.2-79.6000112.5N236 V237 V238 A243 G244N236-N240 PolarHBondContact O-N 2.78Å; N236-N240 PolarHBondContact O-ND2 3.03Å; V237-N240 PolarHBondContact O-N 3.31Å; V237-N240 VanDerWaalsContact O-N 3.13Å; V238-N240 VanDerWaalsContact C-N 3.33Å; V238-N240 PolarHBondContact O-N 2.79Å; N240-A243 PolarHBondContact O-N 3.41Å; N240-G244 PolarHBondContact O-N 3.43Å
241V97.1Very high95.3Very high39 Ų3924.2 Ų24.224%0.23616%0.157CC..Hα-helixtrans-58.9-51172.91740000109.7L218 V219 V237 V238 A243 G244 L245L218-V241 HydrophobicContact CB-CG1 4.09Å; L218-V241 HydrophobicContact CD1-CG1 4.31Å; V219-V241 HydrophobicContact CG1-CG1 4.14Å; V237-V241 PolarHBondContact O-N 2.72Å; V238-V241 PolarHBondContact O-N 2.91Å; V241-A243 PolarHBondContact O-N 2.63Å; V241-G244 WeakPolarHBondContact O-CA 3.4Å; V241-G244 PolarHBondContact O-N 2.93Å; V241-G244 VanDerWaalsContact O-N 3.09Å; V241-L245 HydrophobicContact CG1-CD1 4.35Å; V241-L245 HydrophobicContact CG1-CG 4.47Å; V241-L245 WeakPolarHBondContact O-CG 3.39Å; V241-L245 PolarHBondContact O-N 3.38Å
242C97.3Very high95.3Very high0 Ų024.1 Ų24.10%016%0.157CC..Hα-helixtrans-64.4-36.9-179.2-66.30000113.2C106 I123 V238 S239 G244 L245 V246C106-C242 HydrophobicContact CB-CB 4.02Å; C106-C242 WeakPolarHBondContact SG-CB 3.4Å; I123-C242 HydrophobicContact CD1-CB 3.6Å; V238-C242 PolarHBondContact O-N 2.94Å; V238-C242 PolarHBondContact O-SG 3.01Å; V238-C242 VanDerWaalsContact O-SG 3.4Å; S239-C242 PolarHBondContact O-N 2.89Å; C242-G244 VanDerWaalsContact C-N 3.32Å; C242-G244 PolarHBondContact O-N 3.18Å; C242-L245 PolarHBondContact O-N 3.12Å; C242-V246 PolarHBondContact O-N 3.48Å
243A96.4Very high95.4Very high3 Ų324.7 Ų24.73%0.02516%0.161CC..Hα-helixtrans-57.9-45.5170.700000111.8M104 S239 N240 V241 L245 V246 G247 G248 V252 T268M104-A243 HydrophobicContact CE-CB 3.68Å; S239-A243 PolarHBondContact O-N 3.36Å; N240-A243 PolarHBondContact O-N 3.41Å; V241-A243 PolarHBondContact O-N 2.63Å; A243-L245 VanDerWaalsContact C-N 3.31Å; A243-L245 PolarHBondContact O-N 2.8Å; A243-V246 WeakPolarHBondContact O-CG2 3.29Å; A243-V246 PolarHBondContact O-N 3.27Å; A243-G247 PolarHBondContact O-N 2.84Å; A243-G248 VanDerWaalsContact O-CA 3.29Å; A243-G248 WeakPolarHBondContact O-CA 3.31Å; A243-G248 PolarHBondContact O-N 3.34Å; A243-V252 HydrophobicContact CB-CG2 4.09Å; A243-T268 HydrophobicContact CB-CG2 3.95Å
244G96.4Very high95.5Very high51 Ų5121.6 Ų21.653%0.52614%0.144SC..Hα-helixtrans-60.8-38175.800000113.2N240 V241 C242 V246 G247N240-G244 PolarHBondContact O-N 3.43Å; V241-G244 WeakPolarHBondContact O-CA 3.4Å; V241-G244 PolarHBondContact O-N 2.93Å; V241-G244 VanDerWaalsContact O-N 3.09Å; C242-G244 VanDerWaalsContact C-N 3.32Å; C242-G244 PolarHBondContact O-N 3.18Å; G244-V246 VanDerWaalsContact C-N 3.32Å; G244-V246 PolarHBondContact O-N 2.78Å; G244-G247 PolarHBondContact O-N 3.14Å
245L97.1Very high95.7Very high16 Ų1620.4 Ų20.48%0.08414%0.14CC..Hα-helixtrans-65-33.2179.7-64173.5000113.3T114 I119 L218 P222 V241 C242 A243T114-L245 PolarHBondContact OG1-O 3.06Å; I119-L245 HydrophobicContact CD1-CB 3.56Å; I119-L245 HydrophobicContact CD1-CD1 4.26Å; I119-L245 HydrophobicContact CD1-CG 4.43Å; L218-L245 HydrophobicContact CB-CD1 4.23Å; L218-L245 HydrophobicContact CD2-CD1 4.39Å; L218-L245 WeakPolarHBondContact O-CD1 3.5Å; P222-L245 HydrophobicContact CB-CD1 3.95Å; P222-L245 HydrophobicContact CG-CD1 4.32Å; V241-L245 HydrophobicContact CG1-CD1 4.35Å; V241-L245 HydrophobicContact CG1-CG 4.47Å; V241-L245 WeakPolarHBondContact O-CG 3.39Å; V241-L245 PolarHBondContact O-N 3.38Å; C242-L245 PolarHBondContact O-N 3.12Å; A243-L245 VanDerWaalsContact C-N 3.31Å; A243-L245 PolarHBondContact O-N 2.8Å
246V96.9Very high95.9Very high2 Ų220.5 Ų20.51%0.01214%0.14CC..Hα-helixtrans-96.42.8-176.2-57.20000114.4C106 I119 C242 A243 G244 L251 V252C106-V246 HydrophobicContact CB-CG1 4.17Å; I119-V246 HydrophobicContact CB-CG1 4.02Å; I119-V246 HydrophobicContact CD1-CG1 4.29Å; I119-V246 HydrophobicContact CG2-CG1 3.86Å; C242-V246 PolarHBondContact O-N 3.48Å; A243-V246 WeakPolarHBondContact O-CG2 3.29Å; A243-V246 PolarHBondContact O-N 3.27Å; G244-V246 VanDerWaalsContact C-N 3.32Å; G244-V246 PolarHBondContact O-N 2.78Å; V246-L251 WeakPolarHBondContact O-CD1 3.5Å; V246-V252 HydrophobicContact CG2-CG2 3.45Å; V246-V252 VanDerWaalsContact CG2-CG2 3.45Å
247G94.7Very high96.2Very high20 Ų2020.2 Ų20.221%0.20614%0.136CC..THydrogen-bonded Turntrans120.3-0.5171.600000114.7A243 G244A243-G247 PolarHBondContact O-N 2.84Å; G244-G247 PolarHBondContact O-N 3.14Å
248G94.6Very high96.3Very high10 Ų1017.6 Ų17.610%0.10312%0.123CC..  trans117.3-178168.500000115.2A243 G250 L251A243-G248 VanDerWaalsContact O-CA 3.29Å; A243-G248 WeakPolarHBondContact O-CA 3.31Å; A243-G248 PolarHBondContact O-N 3.34Å; G248-G250 VanDerWaalsContact C-N 3.26Å; G248-G250 PolarHBondContact O-N 3.42Å; G248-L251 PolarHBondContact O-N 3.24Å
249P93.4Very high96.1Very high56 Ų5628.9 Ų28.936%0.36417%0.166SC..THydrogen-bonded Turntrans-61.9-29.4-173.423.7-34.7000114.1L251 T268P249-L251 PolarHBondContact O-N 2.75Å; P249-T268 HydrophobicContact CB-CG2 3.67Å; P249-T268 WeakPolarHBondContact CB-OG1 3.33Å
250G95Very high95.9Very high13 Ų1330.2 Ų30.213%0.13418%0.178CC..THydrogen-bonded Turntrans-68.6-9.5-177.100000114.8G248 A285G248-G250 VanDerWaalsContact C-N 3.26Å; G248-G250 PolarHBondContact O-N 3.42Å; G250-A285 VanDerWaalsContact O-CB 3.24Å; G250-A285 WeakPolarHBondContact O-CB 3.35Å; G250-A285 PolarHBondContact O-N 2.95Å
251L96.2Very high96Very high6 Ų628.5 Ų28.53%0.03117%0.166CC..THydrogen-bonded Turntrans-110.3-22-174.3-59.9-178.3000114.5L109 V112 V246 G248 P249 P253 N282 T284 M314 L324L109-L251 HydrophobicContact CD1-CB 4.19Å; L109-L251 HydrophobicContact CD1-CD1 4.35Å; L109-L251 HydrophobicContact CD1-CD2 3.99Å; L109-L251 HydrophobicContact CD1-CG 4.41Å; V112-L251 HydrophobicContact CB-CD1 4.45Å; V112-L251 HydrophobicContact CG1-CD1 3.89Å; V112-L251 HydrophobicContact CG2-CD1 3.99Å; V246-L251 WeakPolarHBondContact O-CD1 3.5Å; G248-L251 PolarHBondContact O-N 3.24Å; P249-L251 PolarHBondContact O-N 2.75Å; L251-P253 WeakPolarHBondContact O-CD 3.46Å; L251-N282 WeakPolarHBondContact CD2-ND2 3.37Å; L251-T284 HydrophobicContact CD2-CG2 3.86Å; L251-M314 HydrophobicContact CD2-CE 4.15Å; L251-L324 HydrophobicContact CD1-CD2 3.85Å; L251-L324 HydrophobicContact CD2-CD1 4.18Å; L251-L324 HydrophobicContact CD2-CD2 4.31Å; L251-L324 HydrophobicContact CG-CD2 4.19Å
252V96.6Very high96Very high3 Ų326.7 Ų26.72%0.01815%0.154CC..  trans-100.5117.4-166-165.40000112.3M104 H105 A243 V246 A267M104-V252 HydrophobicContact CE-CB 3.86Å; M104-V252 HydrophobicContact CE-CG1 3.38Å; M104-V252 HydrophobicContact CE-CG2 4.24Å; M104-V252 HydrophobicContact CG-CG1 3.61Å; M104-V252 HydrophobicContact SD-CG1 4.32Å; H105-V252 WeakPolarHBondContact O-CG1 3.37Å; A243-V252 HydrophobicContact CB-CG2 4.09Å; V246-V252 HydrophobicContact CG2-CG2 3.45Å; V246-V252 VanDerWaalsContact CG2-CG2 3.45Å; V252-A267 HydrophobicContact CB-CB 4.02Å; V252-A267 HydrophobicContact CG1-CB 3.83Å; V252-A267 VanDerWaalsContact O-CB 3.26Å; V252-A267 WeakPolarHBondContact O-CB 3.49Å; V252-A267 PolarHBondContact O-N 3.11Å
253P96.7Very high96.1Very high13 Ų1326.9 Ų26.98%0.08416%0.156CC..EExtended strand (participates in β ladder)trans-81.1152.7175.236.8-38.3000111.5L251 L288 A289 M292L251-P253 WeakPolarHBondContact O-CD 3.46Å; P253-L288 HydrophobicContact CB-CB 3.8Å; P253-L288 HydrophobicContact CG-CB 3.81Å; P253-A289 HydrophobicContact CB-CB 3.95Å; P253-M292 HydrophobicContact CB-SD 3.67Å; P253-M292 HydrophobicContact CG-SD 3.81Å
254G96Very high96.2Very high0 Ų026.7 Ų26.70%015%0.154CC..EExtended strand (participates in β ladder)trans-133.3155.9176.500000112.2V103 E265V103-G254 WeakPolarHBondContact O-CA 3.27Å; G254-E265 CarbonylContact C-O 3.56Å; G254-E265 WeakPolarHBondContact CA-O 3.43Å; G254-E265 PolarHBondContact N-O 2.79Å; G254-E265 PolarHBondContact O-N 3.02Å
255A97.7Very high96.2Very high0 Ų024.4 Ų24.40%013%0.13CC..EExtended strand (participates in β ladder)trans-141145.2172.900000110.5N102 V103 Y257 F264 M292N102-A255 CarbonylContact C-O 3.57Å; N102-A255 WeakPolarHBondContact CA-O 3.38Å; V103-A255 PolarHBondContact N-O 3.45Å; V103-A255 PolarHBondContact O-N 3.08Å; A255-Y257 HydrophobicContact CB-CD2 4.15Å; A255-Y257 HydrophobicContact CB-CE1 4.27Å; A255-Y257 HydrophobicContact CB-CE2 3.4Å; A255-Y257 VanDerWaalsContact CB-CE2 3.4Å; A255-Y257 VanDerWaalsContact CB-CZ 3.47Å; A255-F264 HydrophobicContact CB-CD1 3.67Å; A255-F264 HydrophobicContact CB-CE1 3.74Å; A255-M292 HydrophobicContact CB-CE 3.62Å
256N97.9Very high96.1Very high2 Ų224.2 Ų24.21%0.01113%0.13CC..EExtended strand (participates in β ladder)trans-115118.1171-50.2-96000107.3R94 L99 A101 N102 N127 A262 V263 E265R94-N256 PolarHBondContact NH2-OD1 3.07Å; L99-N256 HydrophobicContact CB-CB 3.93Å; L99-N256 HydrophobicContact CD1-CB 4.17Å; A101-N256 CarbonylContact O-C 3.5Å; A101-N256 WeakPolarHBondContact O-CA 3.38Å; N102-N256 PolarHBondContact ND2-OD1 2.78Å; N127-N256 PolarHBondContact ND2-OD1 3.16Å; N256-A262 WeakPolarHBondContact O-CA 3.15Å; N256-V263 PolarHBondContact N-O 2.89Å; N256-V263 PolarHBondContact ND2-O 2.71Å; N256-V263 PolarHBondContact O-N 3.05Å; N256-E265 PolarHBondContact ND2-OE1 3.44Å
257Y98.1Very high95.8Very high36 Ų3624.8 Ų24.814%0.14113%0.134CC..EExtended strand (participates in β ladder)trans-108.2133.8179.3-58.7-78.9000109.6L99 Y100 A101 V103 Y161 A255 A262 F264 H296L99-Y257 CarbonylContact C-O 3.54Å; L99-Y257 VanDerWaalsContact C-O 3.31Å; Y100-Y257 PolarHBondContact N-O 3.36Å; Y100-Y257 VanDerWaalsContact N-O 3.12Å; A101-Y257 PolarHBondContact N-O 2.91Å; A101-Y257 PolarHBondContact O-N 3.43Å; V103-Y257 HydrophobicContact CB-CD2 4.25Å; V103-Y257 HydrophobicContact CB-CE2 3.93Å; V103-Y257 HydrophobicContact CG2-CD2 3.68Å; V103-Y257 HydrophobicContact CG2-CE2 3.78Å; Y161-Y257 AromaticContact CZ-CD2 3.92Å; Y161-Y257 WeakPolarHBondContact OH-CD2 3.33Å; Y161-Y257 WeakPolarHBondContact OH-CE2 3.39Å; A255-Y257 HydrophobicContact CB-CD2 4.15Å; A255-Y257 HydrophobicContact CB-CE1 4.27Å; A255-Y257 HydrophobicContact CB-CE2 3.4Å; A255-Y257 VanDerWaalsContact CB-CE2 3.4Å; A255-Y257 VanDerWaalsContact CB-CZ 3.47Å; Y257-A262 HydrophobicContact CD1-CB 3.93Å; Y257-A262 HydrophobicContact CE1-CB 4.28Å; Y257-F264 AromaticContact CE1-CE1 3.99Å; Y257-F264 HydrophobicContact CE1-CE1 3.99Å; Y257-F264 AromaticContact CE1-CZ 3.81Å; Y257-F264 HydrophobicContact CE1-CZ 3.81Å; Y257-H296 AromaticContact CE1-ND1 3.85Å
258G96.7Very high95.1Very high15 Ų1524.4 Ų24.416%0.15513%0.128CC..  trans-113.8-179161.900000110D98 A260 Y261D98-G258 WeakPolarHBondContact O-CA 3.47Å; G258-A260 PolarHBondContact O-N 2.55Å; G258-Y261 PolarHBondContact N-O 2.71Å
259R92.5Very high94.5Very high237 Ų23727.1 Ų27.189%0.89414%0.135SC*.SBendtrans-61.2-32.7175.8-175175-1781772.7112.5
260A91.8Very high94Very high35 Ų3528.9 Ų28.929%0.28914%0.141SC..SBendtrans-117.6-23.1-169.800000114.2K2 G258K2-A260 HydrophobicContact CD-CB 4.35Å; K2-A260 PolarHBondContact NZ-O 2.68Å; G258-A260 PolarHBondContact O-N 2.55Å
261Y96.8Very high93.5Very high42 Ų4228.9 Ų28.917%0.16514%0.139CC..  trans-133.4153.5-166.8-54.3-62.6000110.1I65 R66 G69 L97 L99 G258I65-Y261 HydrophobicContact CG2-CD1 4.4Å; R66-Y261 HydrophobicContact CB-CE1 4.39Å; R66-Y261 HydrophobicContact CG-CE1 4.35Å; R66-Y261 HydrophobicContact CG-CE2 4.34Å; G69-Y261 VanDerWaalsContact O-CA 3.31Å; G69-Y261 WeakPolarHBondContact O-CA 3.3Å; L97-Y261 HydrophobicContact CB-CD2 4.05Å; L97-Y261 HydrophobicContact CD2-CD2 3.9Å; L97-Y261 HydrophobicContact CD2-CE2 4.11Å; L97-Y261 HydrophobicContact CD2-CG 4.28Å; L97-Y261 WeakPolarHBondContact O-CD2 3.25Å; L99-Y261 WeakPolarHBondContact CD2-O 3.33Å; G258-Y261 PolarHBondContact N-O 2.71Å
262A97.8Very high93.1Very high0 Ų028.9 Ų28.90%014%0.141CC..EExtended strand (participates in β ladder)trans-137.5135.4173.800000110.9G69 V70 A71 N256 Y257 F264G69-A262 PolarHBondContact O-N 2.87Å; G69-A262 VanDerWaalsContact O-N 3.14Å; V70-A262 CarbonylContact C-O 3.56Å; V70-A262 WeakPolarHBondContact CA-O 3.34Å; A71-A262 PolarHBondContact N-O 3.24Å; N256-A262 WeakPolarHBondContact O-CA 3.15Å; Y257-A262 HydrophobicContact CD1-CB 3.93Å; Y257-A262 HydrophobicContact CE1-CB 4.28Å; A262-F264 HydrophobicContact CB-CE2 3.68Å; A262-F264 HydrophobicContact CB-CZ 3.97Å
263V98.4Very high92.7Very high4 Ų433.2 Ų33.22%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-127.8118.1178.31780000109.5I65 A71 K73 L99 N256I65-V263 HydrophobicContact CD1-CG2 4.23Å; A71-V263 HydrophobicContact CB-CB 4.49Å; A71-V263 HydrophobicContact CB-CG1 4.31Å; A71-V263 HydrophobicContact CB-CG2 3.96Å; A71-V263 WeakPolarHBondContact O-CA 3.44Å; K73-V263 HydrophobicContact CB-CG1 4.49Å; K73-V263 HydrophobicContact CD-CG1 3.45Å; K73-V263 VanDerWaalsContact CD-CG1 3.45Å; K73-V263 HydrophobicContact CG-CG1 3.65Å; L99-V263 HydrophobicContact CD1-CB 3.95Å; L99-V263 HydrophobicContact CD1-CG2 3.47Å; L99-V263 VanDerWaalsContact CD1-CG2 3.47Å; L99-V263 HydrophobicContact CD2-CG2 4.41Å; N256-V263 PolarHBondContact N-O 2.89Å; N256-V263 PolarHBondContact ND2-O 2.71Å; N256-V263 PolarHBondContact O-N 3.05Å
264F98.4Very high92.5Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-98.2136.7-178.9-60.1-88.6000110.2V70 A71 L72 K73 A255 Y257 A262 M292 M293 H296V70-F264 HydrophobicContact CG1-CD2 4.09Å; V70-F264 HydrophobicContact CG1-CE2 3.85Å; A71-F264 WeakPolarHBondContact O-CD2 3.49Å; A71-F264 PolarHBondContact O-N 2.83Å; L72-F264 WeakPolarHBondContact CA-O 3.3Å; L72-F264 HydrophobicContact CD1-CB 3.84Å; K73-F264 PolarHBondContact N-O 2.68Å; A255-F264 HydrophobicContact CB-CD1 3.67Å; A255-F264 HydrophobicContact CB-CE1 3.74Å; Y257-F264 AromaticContact CE1-CE1 3.99Å; Y257-F264 HydrophobicContact CE1-CE1 3.99Å; Y257-F264 AromaticContact CE1-CZ 3.81Å; Y257-F264 HydrophobicContact CE1-CZ 3.81Å; A262-F264 HydrophobicContact CB-CE2 3.68Å; A262-F264 HydrophobicContact CB-CZ 3.97Å; F264-M292 HydrophobicContact CD1-CB 3.7Å; F264-M292 VanDerWaalsContact CE1-C 3.41Å; F264-M292 HydrophobicContact CE1-CB 3.78Å; F264-M292 WeakPolarHBondContact CE1-O 3.48Å; F264-M293 HydrophobicContact CB-CB 4.16Å; F264-M293 HydrophobicContact CD1-CB 4.04Å; F264-M293 HydrophobicContact CD2-CB 3.45Å; F264-M293 VanDerWaalsContact CD2-CB 3.45Å; F264-M293 HydrophobicContact CD2-CG 3.55Å; F264-M293 HydrophobicContact CE1-CB 4.36Å; F264-M293 HydrophobicContact CE2-CB 3.84Å; F264-M293 HydrophobicContact CE2-CG 3.83Å; F264-M293 HydrophobicContact CG-CB 3.58Å; F264-M293 HydrophobicContact CG-CG 4.2Å; F264-M293 HydrophobicContact CZ-CB 4.29Å; F264-H296 HydrophobicContact CE1-CB 4.36Å; F264-H296 HydrophobicContact CE2-CB 4.12Å; F264-H296 HydrophobicContact CZ-CB 3.47Å; F264-H296 VanDerWaalsContact CZ-CB 3.47Å; F264-H296 AromaticContact CZ-CG 3.81Å
265E97.1Very high92.3Very high3 Ų339 Ų391%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-155.2171.4-17560.6177.9162.700111.1K73 R94 G254 N256 R269 A289K73-E265 HydrophobicContact CD-CB 4.35Å; K73-E265 HydrophobicContact CG-CB 3.74Å; K73-E265 IonicContact NZ-OE2 3.6Å; K73-E265 PolarHBondContact NZ-OE2 3.17Å; R94-E265 IonicContact NH2-OE1 2.7Å; G254-E265 CarbonylContact C-O 3.56Å; G254-E265 WeakPolarHBondContact CA-O 3.43Å; G254-E265 PolarHBondContact N-O 2.79Å; G254-E265 PolarHBondContact O-N 3.02Å; N256-E265 PolarHBondContact ND2-OE1 3.44Å; E265-R269 IonicContact OE1-NH1 3.71Å; E265-R269 PolarHBondContact OE1-NH1 2.83Å; E265-R269 IonicContact OE2-NH1 2.83Å; E265-A289 VanDerWaalsContact O-CB 3.29Å; E265-A289 WeakPolarHBondContact O-CB 3.17Å
266T95.2Very high92.1Very high12 Ų1240.5 Ų40.57%0.07421%0.211CC..EExtended strand (participates in β ladder)trans-66140.7164.355.60000109.5N75 T268 A285 M286N75-T266 PolarHBondContact ND2-OG1 3.17Å; T266-T268 VanDerWaalsContact C-N 3.27Å; T266-T268 PolarHBondContact O-N 3.3Å; T266-T268 PolarHBondContact OG1-O 2.79Å; T266-T268 VanDerWaalsContact OG1-O 3.05Å; T266-A285 HydrophobicContact CG2-CB 3.85Å; T266-M286 HydrophobicContact CG2-CB 4.29Å; T266-M286 HydrophobicContact CG2-CE 3.88Å
267A89.3Confident91.9Very high13 Ų1343.8 Ų43.811%0.10725%0.245CC..SBendtrans-62-35.7-175.800000113.2M104 V252M104-A267 HydrophobicContact CB-CB 4.44Å; M104-A267 HydrophobicContact CE-CB 3.59Å; M104-A267 HydrophobicContact CG-CB 3.71Å; M104-A267 HydrophobicContact SD-CB 3.93Å; V252-A267 HydrophobicContact CB-CB 4.02Å; V252-A267 HydrophobicContact CG1-CB 3.83Å; V252-A267 VanDerWaalsContact O-CB 3.26Å; V252-A267 WeakPolarHBondContact O-CB 3.49Å; V252-A267 PolarHBondContact O-N 3.11Å
268T81.1Confident91.8Very high12 Ų1248.4 Ų48.47%0.07427%0.265CS..SBendtrans-90.4137.2176.264.80000110.3N75 A243 P249 T266 N270N75-T268 PolarHBondContact ND2-O 2.86Å; N75-T268 VanDerWaalsContact ND2-O 3.07Å; A243-T268 HydrophobicContact CB-CG2 3.95Å; P249-T268 HydrophobicContact CB-CG2 3.67Å; P249-T268 WeakPolarHBondContact CB-OG1 3.33Å; T266-T268 VanDerWaalsContact C-N 3.27Å; T266-T268 PolarHBondContact O-N 3.3Å; T266-T268 PolarHBondContact OG1-O 2.79Å; T266-T268 VanDerWaalsContact OG1-O 3.05Å; T268-N270 PolarHBondContact O-N 3.43Å
269R81.9Confident91.8Very high68 Ų6850.3 Ų50.326%0.25727%0.272SS..  trans-7925179.3-56.8-171.5-167.4-54.3-36.1113.9R94 E265 T271R94-R269 VanDerWaalsContact NH1-CZ 3.33Å; R94-R269 VanDerWaalsContact NH1-NH2 3.17Å; E265-R269 IonicContact OE1-NH1 3.71Å; E265-R269 PolarHBondContact OE1-NH1 2.83Å; E265-R269 IonicContact OE2-NH1 2.83Å; R269-T271 PolarHBondContact O-N 3.23Å
270N82.4Confident92Very high92 Ų9241.9 Ų41.949%0.49224%0.244SC..  trans-76.7123.2-178.2-167.8-14.4000109.7N75 T268 G272N75-N270 PolarHBondContact ND2-N 3.49Å; N75-N270 PolarHBondContact ND2-O 3.4Å; T268-N270 PolarHBondContact O-N 3.43Å; N270-G272 VanDerWaalsContact C-N 3.28Å; N270-G272 PolarHBondContact OD1-N 3.42Å
271T85.9Confident92.2Very high13 Ų1340.4 Ų40.48%0.0823%0.232CC..  trans-77.8-15.9177.152.80000112.3D20 G21 I22 N75 E77 R269 K273D20-T271 HydrophobicContact CB-CG2 4.3Å; G21-T271 CarbonylContact C-O 3.57Å; G21-T271 VanDerWaalsContact CA-O 3.3Å; G21-T271 WeakPolarHBondContact CA-O 3.43Å; I22-T271 PolarHBondContact N-O 3.18Å; N75-T271 HydrophobicContact CB-CG2 3.98Å; E77-T271 HydrophobicContact CB-CG2 3.98Å; E77-T271 HydrophobicContact CG-CG2 4.36Å; R269-T271 PolarHBondContact O-N 3.23Å; T271-K273 PolarHBondContact O-N 2.9Å
272G87.7Confident92.2Very high7 Ų738.9 Ų38.97%0.07223%0.227CC..  trans62.326.7178.800000113.4I22 N270 S274 V275 A276I22-G272 WeakPolarHBondContact CG2-O 3.3Å; N270-G272 VanDerWaalsContact C-N 3.28Å; N270-G272 PolarHBondContact OD1-N 3.42Å; G272-S274 PolarHBondContact O-N 2.9Å; G272-V275 WeakPolarHBondContact O-CG2 3.4Å; G272-V275 PolarHBondContact O-N 2.81Å; G272-A276 PolarHBondContact O-N 2.7Å; G272-A276 VanDerWaalsContact O-N 3.07Å
273K88.3Confident92.2Very high93 Ų9339 Ų3940%0.40423%0.227SC..THydrogen-bonded Turntrans-52.9-33.4-173.8-80.5-174175.4-169.90114.6E77 T271 V275E77-K273 VanDerWaalsContact CD-CE 3.45Å; E77-K273 VanDerWaalsContact OE1-CD 3.29Å; E77-K273 WeakPolarHBondContact OE1-CD 3.49Å; E77-K273 WeakPolarHBondContact OE1-CE 3.15Å; E77-K273 IonicContact OE1-NZ 2.78Å; E77-K273 PolarHBondContact OE1-NZ 3.18Å; E77-K273 WeakPolarHBondContact OE2-CE 3.13Å; E77-K273 IonicContact OE2-NZ 3.2Å; E77-K273 PolarHBondContact OE2-NZ 3.24Å; T271-K273 PolarHBondContact O-N 2.9Å; K273-V275 PolarHBondContact O-N 3.32Å
274S91.6Very high92.2Very high90 Ų9038.8 Ų38.863%0.62923%0.226SC*.THydrogen-bonded Turntrans-65.4-22.817854.10000113.7G272 K278G272-S274 PolarHBondContact O-N 2.9Å; S274-K278 WeakPolarHBondContact O-CE 3.48Å; S274-K278 PolarHBondContact O-NZ 2.97Å
275V92.1Very high92.1Very high44 Ų4438.9 Ų38.927%0.26723%0.227SC..THydrogen-bonded Turntrans-115.4-3.6-176.9-59.90000113.8I22 G272 K273 G277 K278 I280I22-V275 HydrophobicContact CG2-CG2 3.77Å; G272-V275 WeakPolarHBondContact O-CG2 3.4Å; G272-V275 PolarHBondContact O-N 2.81Å; K273-V275 PolarHBondContact O-N 3.32Å; V275-G277 PolarHBondContact O-N 2.99Å; V275-K278 WeakPolarHBondContact O-CB 3.34Å; V275-K278 PolarHBondContact O-N 3.15Å; V275-I280 HydrophobicContact CB-CD1 4.04Å; V275-I280 HydrophobicContact CB-CG1 3.9Å; V275-I280 HydrophobicContact CG1-CD1 3.87Å; V275-I280 HydrophobicContact CG1-CG1 4.2Å
276A93.8Very high92.1Very high33 Ų3338.9 Ų38.927%0.27323%0.227SC..THydrogen-bonded Turntrans-58.4134.2179.100000112.4I22 G272 K278I22-A276 HydrophobicContact CG2-CB 4.18Å; G272-A276 PolarHBondContact O-N 2.7Å; G272-A276 VanDerWaalsContact O-N 3.07Å; A276-K278 PolarHBondContact O-N 3.15Å
277G93.4Very high92.3Very high71 Ų7138.3 Ų38.373%0.73222%0.224SC*.THydrogen-bonded Turntrans73.76.5178.100000114.3E25 V275E25-G277 WeakPolarHBondContact OE2-CA 3.41Å; E25-G277 PolarHBondContact OE2-N 2.56Å; V275-G277 PolarHBondContact O-N 2.99Å
278K96.3Very high92.7Very high132 Ų13238.6 Ų38.657%0.57422%0.223SC*.THydrogen-bonded Turntrans-99.8-0.6-179.5-60.1-176.4-176.3170.80113.4S274 V275 A276 I280S274-K278 WeakPolarHBondContact O-CE 3.48Å; S274-K278 PolarHBondContact O-NZ 2.97Å; V275-K278 WeakPolarHBondContact O-CB 3.34Å; V275-K278 PolarHBondContact O-N 3.15Å; A276-K278 PolarHBondContact O-N 3.15Å; K278-I280 HydrophobicContact CB-CD1 4.07Å; K278-I280 HydrophobicContact CB-CG1 3.95Å; K278-I280 HydrophobicContact CD-CD1 4.34Å; K278-I280 PolarHBondContact O-N 2.87Å
279N96.7Very high93.5Very high56 Ų5638 Ų3830%0.29922%0.22SC..THydrogen-bonded Turntrans57.432.9-178.8-170.638000113.2T329 T330 S331N279-T329 CarbonylContact O-C 3.58Å; N279-T329 VanDerWaalsContact O-CA 3.28Å; N279-T329 WeakPolarHBondContact O-CA 3.43Å; N279-T329 WeakPolarHBondContact O-CB 3.15Å; N279-T330 PolarHBondContact O-N 3.25Å; N279-T330 PolarHBondContact O-OG1 3.42Å; N279-T330 WeakPolarHBondContact OD1-CB 3.26Å; N279-S331 PolarHBondContact ND2-OG 2.8Å; N279-S331 WeakPolarHBondContact OD1-CB 3.12Å; N279-S331 PolarHBondContact OD1-N 2.77Å; N279-S331 PolarHBondContact OD1-OG 2.94Å
280I96.7Very high94.3Very high59 Ų5934.8 Ų34.830%0.30321%0.207SC..  trans-123.93.4178.363.9179.9000112.9V275 K278 T330V275-I280 HydrophobicContact CB-CD1 4.04Å; V275-I280 HydrophobicContact CB-CG1 3.9Å; V275-I280 HydrophobicContact CG1-CD1 3.87Å; V275-I280 HydrophobicContact CG1-CG1 4.2Å; K278-I280 HydrophobicContact CB-CD1 4.07Å; K278-I280 HydrophobicContact CB-CG1 3.95Å; K278-I280 HydrophobicContact CD-CD1 4.34Å; K278-I280 PolarHBondContact O-N 2.87Å; I280-T330 PolarHBondContact N-OG1 3.29Å
281A96.4Very high95.1Very high4 Ų430.4 Ų30.43%0.03318%0.184CC..SBendtrans-72.3139.117600000110.9I22 E25 L26 P283 T330I22-A281 HydrophobicContact CB-CB 4.02Å; I22-A281 HydrophobicContact CD1-CB 4.16Å; I22-A281 HydrophobicContact CG2-CB 3.79Å; E25-A281 WeakPolarHBondContact OE1-CB 3.46Å; L26-A281 HydrophobicContact CD2-CB 4.05Å; A281-P283 VanDerWaalsContact O-CD 3.32Å; A281-P283 WeakPolarHBondContact O-CD 3.42Å; A281-T330 PolarHBondContact N-OG1 3.21Å; A281-T330 WeakPolarHBondContact O-CB 3.36Å; A281-T330 VanDerWaalsContact O-CG2 3.31Å; A281-T330 WeakPolarHBondContact O-CG2 3.32Å; A281-T330 PolarHBondContact O-OG1 3.35Å
282N96.7Very high95.6Very high10 Ų1031.2 Ų31.25%0.05319%0.187CC..  trans-74.9118.2177.9-166.8-23.6000110.8L251 T284 T321 D323L251-N282 WeakPolarHBondContact CD2-ND2 3.37Å; N282-T284 VanDerWaalsContact C-N 3.28Å; N282-T284 PolarHBondContact O-N 2.86Å; N282-T284 WeakPolarHBondContact OD1-CB 3.38Å; N282-T284 PolarHBondContact OD1-N 2.95Å; N282-T284 PolarHBondContact OD1-OG1 3.29Å; N282-T321 WeakPolarHBondContact CB-OG1 3.32Å; N282-T321 VanDerWaalsContact CG-OG1 3.28Å; N282-T321 PolarHBondContact ND2-OG1 3.04Å; N282-D323 WeakPolarHBondContact CB-OD1 3.26Å; N282-D323 WeakPolarHBondContact CB-OD2 3.44Å; N282-D323 PolarHBondContact ND2-OD1 2.99Å; N282-D323 PolarHBondContact ND2-OD2 3.44Å
283P97.2Very high96.1Very high2 Ų230.9 Ų30.91%0.01318%0.184CC..  trans-80.4-8.5-178.733.8-35.1000113.5L26 A281 A285 M286 L287 T330 V333 V334L26-P283 HydrophobicContact CD2-CB 4Å; A281-P283 VanDerWaalsContact O-CD 3.32Å; A281-P283 WeakPolarHBondContact O-CD 3.42Å; P283-A285 PolarHBondContact O-N 3.35Å; P283-M286 PolarHBondContact O-N 3.28Å; P283-L287 HydrophobicContact CB-CD1 3.95Å; P283-L287 HydrophobicContact CB-CG 4.42Å; P283-L287 HydrophobicContact CG-CD1 4.27Å; P283-L287 WeakPolarHBondContact O-CG 3.22Å; P283-L287 PolarHBondContact O-N 3.37Å; P283-T330 HydrophobicContact CB-CG2 4.12Å; P283-T330 HydrophobicContact CG-CG2 4.19Å; P283-V333 HydrophobicContact CG-CB 3.97Å; P283-V333 HydrophobicContact CG-CG1 3.61Å; P283-V334 HydrophobicContact CB-CG2 4.12Å; P283-V334 HydrophobicContact CG-CG2 4.04Å
284T97.2Very high96.6Very high0 Ų026.4 Ų26.40%017%0.165CC..Hα-helixtrans-58.2-52-168.7-59.40000112.9L109 L251 N282 M286 L287 L288 V310 M314L109-T284 HydrophobicContact CD1-CG2 4.06Å; L251-T284 HydrophobicContact CD2-CG2 3.86Å; N282-T284 VanDerWaalsContact C-N 3.28Å; N282-T284 PolarHBondContact O-N 2.86Å; N282-T284 WeakPolarHBondContact OD1-CB 3.38Å; N282-T284 PolarHBondContact OD1-N 2.95Å; N282-T284 PolarHBondContact OD1-OG1 3.29Å; T284-M286 VanDerWaalsContact C-N 3.29Å; T284-M286 PolarHBondContact O-N 2.92Å; T284-L287 PolarHBondContact O-N 3.46Å; T284-L288 HydrophobicContact CG2-CD1 3.77Å; T284-L288 HydrophobicContact CG2-CG 4.29Å; T284-L288 WeakPolarHBondContact O-CB 3.4Å; T284-L288 VanDerWaalsContact O-CG 3.31Å; T284-L288 WeakPolarHBondContact O-CG 3.24Å; T284-L288 PolarHBondContact O-N 3Å; T284-V310 HydrophobicContact CG2-CG1 3.84Å; T284-M314 HydrophobicContact CG2-CG 4.36Å; T284-M314 HydrophobicContact CG2-SD 4.42Å; T284-M314 PolarHBondContact OG1-SD 3.27Å; T284-M314 VanDerWaalsContact OG1-SD 3.4Å
285A97.1Very high96.9Very high2 Ų223.6 Ų23.62%0.01714%0.143CC..Hα-helixtrans-58.4-41.2-179.500000112.4G250 T266 P283 A289G250-A285 VanDerWaalsContact O-CB 3.24Å; G250-A285 WeakPolarHBondContact O-CB 3.35Å; G250-A285 PolarHBondContact O-N 2.95Å; T266-A285 HydrophobicContact CG2-CB 3.85Å; P283-A285 PolarHBondContact O-N 3.35Å; A285-A289 WeakPolarHBondContact O-CB 3.39Å; A285-A289 PolarHBondContact O-N 3.5Å
286M97.9Very high97.1Very high3 Ų325.2 Ų25.22%0.01515%0.147CC..Hα-helixtrans-73.2-39.1-178.9-171.259.780.600111.9L26 L27 V30 L72 K73 T266 P283 T284 A289 S290L26-M286 HydrophobicContact CB-CB 4.22Å; L26-M286 HydrophobicContact CB-CG 4.22Å; L26-M286 HydrophobicContact CD1-CB 4.21Å; L27-M286 HydrophobicContact CD2-CE 3.98Å; L27-M286 HydrophobicContact CD2-CG 3.84Å; L27-M286 HydrophobicContact CD2-SD 3.59Å; L27-M286 VanDerWaalsContact CD2-SD 3.59Å; L27-M286 HydrophobicContact CG-CE 4.23Å; L27-M286 HydrophobicContact CG-SD 4.44Å; V30-M286 HydrophobicContact CG2-CG 3.78Å; L72-M286 HydrophobicContact CD1-SD 4Å; L72-M286 HydrophobicContact CG-SD 4.44Å; K73-M286 WeakPolarHBondContact O-CE 3.45Å; T266-M286 HydrophobicContact CG2-CB 4.29Å; T266-M286 HydrophobicContact CG2-CE 3.88Å; P283-M286 PolarHBondContact O-N 3.28Å; T284-M286 VanDerWaalsContact C-N 3.29Å; T284-M286 PolarHBondContact O-N 2.92Å; M286-A289 PolarHBondContact O-N 2.96Å; M286-S290 PolarHBondContact O-N 2.9Å
287L98.3Very high97.3Very high1 Ų124.5 Ų24.51%0.00514%0.138CC..Hα-helixtrans-64.6-39.3173.4-71.5168.1000111.8V30 V33 P283 T284 S290 C291 V310V30-L287 HydrophobicContact CG2-CD2 4.09Å; V33-L287 HydrophobicContact CB-CD2 4.4Å; V33-L287 HydrophobicContact CG2-CD2 4.18Å; P283-L287 HydrophobicContact CB-CD1 3.95Å; P283-L287 HydrophobicContact CB-CG 4.42Å; P283-L287 HydrophobicContact CG-CD1 4.27Å; P283-L287 WeakPolarHBondContact O-CG 3.22Å; P283-L287 PolarHBondContact O-N 3.37Å; T284-L287 PolarHBondContact O-N 3.46Å; L287-S290 PolarHBondContact O-N 3.28Å; L287-S290 PolarHBondContact O-OG 3.41Å; L287-C291 PolarHBondContact O-N 3.29Å; L287-C291 PolarHBondContact O-SG 3.44Å; L287-V310 HydrophobicContact CB-CG2 3.92Å; L287-V310 HydrophobicContact CD1-CG2 3.95Å
288L98Very high97.4Very high18 Ų1827.6 Ų27.69%0.09413%0.132CC..Hα-helixtrans-70.3-35.9175.6-68.1175.8000111.8P253 T284 S290 C291 M292 R307 V310P253-L288 HydrophobicContact CB-CB 3.8Å; P253-L288 HydrophobicContact CG-CB 3.81Å; T284-L288 HydrophobicContact CG2-CD1 3.77Å; T284-L288 HydrophobicContact CG2-CG 4.29Å; T284-L288 WeakPolarHBondContact O-CB 3.4Å; T284-L288 VanDerWaalsContact O-CG 3.31Å; T284-L288 WeakPolarHBondContact O-CG 3.24Å; T284-L288 PolarHBondContact O-N 3Å; L288-S290 VanDerWaalsContact C-N 3.34Å; L288-C291 WeakPolarHBondContact O-CB 3.12Å; L288-C291 PolarHBondContact O-N 3.17Å; L288-M292 PolarHBondContact O-N 3.07Å; L288-R307 HydrophobicContact CD2-CG 4Å; L288-V310 HydrophobicContact CD2-CG1 4.24Å; L288-V310 HydrophobicContact CG-CG1 4.33Å
289A98.1Very high97.4Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-64.5-39.1173.600000111.6P253 E265 A285 M286 C291 M292 M293P253-A289 HydrophobicContact CB-CB 3.95Å; E265-A289 VanDerWaalsContact O-CB 3.29Å; E265-A289 WeakPolarHBondContact O-CB 3.17Å; A285-A289 WeakPolarHBondContact O-CB 3.39Å; A285-A289 PolarHBondContact O-N 3.5Å; M286-A289 PolarHBondContact O-N 2.96Å; A289-C291 VanDerWaalsContact C-N 3.3Å; A289-C291 PolarHBondContact O-N 2.78Å; A289-M292 WeakPolarHBondContact O-CB 3.2Å; A289-M292 PolarHBondContact O-N 2.85Å; A289-M293 PolarHBondContact O-N 2.92Å
290S98.4Very high97.5Very high0 Ų024.9 Ų24.90%012%0.116CC..Hα-helixtrans-67.8-30.4173.377.10000112.1F34 M286 L287 L288 M293 L294F34-S290 WeakPolarHBondContact CE1-OG 3.18Å; M286-S290 PolarHBondContact O-N 2.9Å; L287-S290 PolarHBondContact O-N 3.28Å; L287-S290 PolarHBondContact O-OG 3.41Å; L288-S290 VanDerWaalsContact C-N 3.34Å; S290-M293 WeakPolarHBondContact O-CB 3.4Å; S290-M293 PolarHBondContact O-N 3.5Å; S290-L294 WeakPolarHBondContact O-CG 3.33Å; S290-L294 PolarHBondContact O-N 3.47Å
291C98.4Very high97.5Very high1 Ų128.4 Ų28.41%0.00714%0.135CC..Hα-helixtrans-66.1-39.4169.3-64.60000112.5L287 L288 A289 M293 L294 D295 R307L287-C291 PolarHBondContact O-N 3.29Å; L287-C291 PolarHBondContact O-SG 3.44Å; L288-C291 WeakPolarHBondContact O-CB 3.12Å; L288-C291 PolarHBondContact O-N 3.17Å; A289-C291 VanDerWaalsContact C-N 3.3Å; A289-C291 PolarHBondContact O-N 2.78Å; C291-M293 VanDerWaalsContact C-N 3.26Å; C291-M293 PolarHBondContact O-N 2.68Å; C291-L294 PolarHBondContact O-N 3.28Å; C291-D295 PolarHBondContact O-N 2.64Å; C291-D295 VanDerWaalsContact O-N 3.07Å; C291-R307 HydrophobicContact CB-CB 4.35Å
292M98.1Very high97.5Very high29 Ų2931.8 Ų31.814%0.14315%0.148CC..Hα-helixtrans-62.2-36.8173-67.117669.700111.5P253 A255 F264 L288 A289 D295 H296P253-M292 HydrophobicContact CB-SD 3.67Å; P253-M292 HydrophobicContact CG-SD 3.81Å; A255-M292 HydrophobicContact CB-CE 3.62Å; F264-M292 HydrophobicContact CD1-CB 3.7Å; F264-M292 VanDerWaalsContact CE1-C 3.41Å; F264-M292 HydrophobicContact CE1-CB 3.78Å; F264-M292 WeakPolarHBondContact CE1-O 3.48Å; L288-M292 PolarHBondContact O-N 3.07Å; A289-M292 WeakPolarHBondContact O-CB 3.2Å; A289-M292 PolarHBondContact O-N 2.85Å; M292-D295 PolarHBondContact O-N 2.94Å; M292-H296 PolarHBondContact O-N 2.83Å; M292-H296 VanDerWaalsContact O-N 3.12Å
293M98.4Very high97.5Very high0 Ų031.3 Ų31.30%015%0.145CC..Hα-helixtrans-62.2-44.8173.5-176.7-171.273.900111.8V14 F34 F43 V70 L72 F264 A289 S290 C291 D295 H296 L297V14-M293 HydrophobicContact CG1-SD 3.64Å; V14-M293 HydrophobicContact CG2-SD 4.32Å; F34-M293 HydrophobicContact CE2-CE 3.57Å; F34-M293 HydrophobicContact CZ-CE 3.84Å; F43-M293 HydrophobicContact CE1-CE 4.22Å; F43-M293 HydrophobicContact CZ-CE 4.29Å; V70-M293 HydrophobicContact CG1-CG 3.75Å; V70-M293 HydrophobicContact CG1-SD 4.25Å; L72-M293 HydrophobicContact CB-SD 3.91Å; F264-M293 HydrophobicContact CB-CB 4.16Å; F264-M293 HydrophobicContact CD1-CB 4.04Å; F264-M293 HydrophobicContact CD2-CB 3.45Å; F264-M293 VanDerWaalsContact CD2-CB 3.45Å; F264-M293 HydrophobicContact CD2-CG 3.55Å; F264-M293 HydrophobicContact CE1-CB 4.36Å; F264-M293 HydrophobicContact CE2-CB 3.84Å; F264-M293 HydrophobicContact CE2-CG 3.83Å; F264-M293 HydrophobicContact CG-CB 3.58Å; F264-M293 HydrophobicContact CG-CG 4.2Å; F264-M293 HydrophobicContact CZ-CB 4.29Å; A289-M293 PolarHBondContact O-N 2.92Å; S290-M293 WeakPolarHBondContact O-CB 3.4Å; S290-M293 PolarHBondContact O-N 3.5Å; C291-M293 VanDerWaalsContact C-N 3.26Å; C291-M293 PolarHBondContact O-N 2.68Å; M293-D295 VanDerWaalsContact C-N 3.34Å; M293-D295 PolarHBondContact O-N 3.18Å; M293-H296 WeakPolarHBondContact O-CB 3.43Å; M293-H296 PolarHBondContact O-N 3.42Å; M293-H296 VanDerWaalsContact O-N 3.15Å; M293-L297 HydrophobicContact CG-CD1 4.26Å; M293-L297 WeakPolarHBondContact O-CG 3.48Å; M293-L297 PolarHBondContact O-N 3.49Å
294L98.4Very high97.5Very high0 Ų034.5 Ų34.50%016%0.162CC..Hα-helixtrans-62.4-39.7177.7-67.3175.9000112.2F34 V39 V41 S290 C291 H296 L297 K298 L299 A303 I306F34-L294 HydrophobicContact CE1-CD1 4.17Å; F34-L294 HydrophobicContact CE2-CD1 4.35Å; F34-L294 HydrophobicContact CE2-CD2 3.84Å; F34-L294 HydrophobicContact CE2-CG 4.25Å; F34-L294 HydrophobicContact CZ-CD1 3.72Å; F34-L294 HydrophobicContact CZ-CD2 3.97Å; F34-L294 HydrophobicContact CZ-CG 3.84Å; V39-L294 HydrophobicContact CG1-CD2 3.62Å; V41-L294 HydrophobicContact CG2-CD2 4.11Å; S290-L294 WeakPolarHBondContact O-CG 3.33Å; S290-L294 PolarHBondContact O-N 3.47Å; C291-L294 PolarHBondContact O-N 3.28Å; L294-H296 VanDerWaalsContact C-N 3.31Å; L294-H296 PolarHBondContact O-N 2.79Å; L294-L297 CarbonylContact O-C 3.55Å; L294-L297 PolarHBondContact O-N 2.9Å; L294-K298 PolarHBondContact O-N 3.31Å; L294-K298 VanDerWaalsContact O-N 3.12Å; L294-L299 HydrophobicContact CB-CB 4.26Å; L294-L299 HydrophobicContact CD2-CB 4.19Å; L294-L299 HydrophobicContact CD2-CD1 3.8Å; L294-L299 PolarHBondContact O-N 2.82Å; L294-A303 HydrophobicContact CB-CB 3.65Å; L294-A303 HydrophobicContact CD1-CB 4.46Å; L294-I306 HydrophobicContact CD1-CD1 3.98Å
295D97.6Very high97.5Very high31 Ų3137 Ų3717%0.16618%0.176CC..Hα-helixtrans-59.4-42172.6-74.5-16.5000111.9C291 M292 M293 L297 K298 Y300 A303 R307C291-D295 PolarHBondContact O-N 2.64Å; C291-D295 VanDerWaalsContact O-N 3.07Å; M292-D295 PolarHBondContact O-N 2.94Å; M293-D295 VanDerWaalsContact C-N 3.34Å; M293-D295 PolarHBondContact O-N 3.18Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.46Å; D295-K298 PolarHBondContact O-N 3.01Å; D295-K298 VanDerWaalsContact O-N 3.08Å; D295-Y300 HydrophobicContact CB-CD1 4.4Å; D295-Y300 HydrophobicContact CB-CE1 4.39Å; D295-Y300 WeakPolarHBondContact O-CE1 2.86Å; D295-A303 WeakPolarHBondContact OD1-CB 3.23Å; D295-R307 VanDerWaalsContact CG-NH2 3.25Å; D295-R307 IonicContact OD1-NH2 3.6Å; D295-R307 PolarHBondContact OD1-NH2 3.14Å; D295-R307 IonicContact OD2-CZ 3.76Å; D295-R307 IonicContact OD2-NH1 2.9Å; D295-R307 IonicContact OD2-NH2 3.97Å; D295-R307 PolarHBondContact OD2-NH2 3.42Å
296H96.7Very high97.6Very high77 Ų7737 Ų3736%0.35618%0.175SC..Hα-helixtrans-64.6-38.3177.3-177.285.5000112Y257 F264 M292 M293 L294 K298Y257-H296 AromaticContact CE1-ND1 3.85Å; F264-H296 HydrophobicContact CE1-CB 4.36Å; F264-H296 HydrophobicContact CE2-CB 4.12Å; F264-H296 HydrophobicContact CZ-CB 3.47Å; F264-H296 VanDerWaalsContact CZ-CB 3.47Å; F264-H296 AromaticContact CZ-CG 3.81Å; M292-H296 PolarHBondContact O-N 2.83Å; M292-H296 VanDerWaalsContact O-N 3.12Å; M293-H296 WeakPolarHBondContact O-CB 3.43Å; M293-H296 PolarHBondContact O-N 3.42Å; M293-H296 VanDerWaalsContact O-N 3.15Å; L294-H296 VanDerWaalsContact C-N 3.31Å; L294-H296 PolarHBondContact O-N 2.79Å; H296-K298 PolarHBondContact O-N 2.99Å
297L96.4Very high97.5Very high18 Ų1840 Ų409%0.09419%0.186CC..THydrogen-bonded Turntrans-74.6-0.5174-63.2177.3000113.7H12 V14 V41 V70 M293 L294 D295 L299H12-L297 HydrophobicContact CB-CD1 4.23Å; H12-L297 HydrophobicContact CB-CD2 4.5Å; V14-L297 HydrophobicContact CG2-CD1 3.95Å; V41-L297 HydrophobicContact CG2-CD1 3.98Å; V70-L297 HydrophobicContact CB-CD2 4.35Å; V70-L297 HydrophobicContact CG1-CD2 4.43Å; V70-L297 HydrophobicContact CG2-CD2 3.85Å; M293-L297 HydrophobicContact CG-CD1 4.26Å; M293-L297 WeakPolarHBondContact O-CG 3.48Å; M293-L297 PolarHBondContact O-N 3.49Å; L294-L297 CarbonylContact O-C 3.55Å; L294-L297 PolarHBondContact O-N 2.9Å; D295-L297 VanDerWaalsContact C-N 3.32Å; D295-L297 PolarHBondContact O-N 3.46Å; L297-L299 HydrophobicContact CB-CD1 4.12Å; L297-L299 HydrophobicContact CB-CG 4.08Å; L297-L299 HydrophobicContact CD1-CD1 4.37Å; L297-L299 PolarHBondContact O-N 2.93Å
298K96.6Very high97.5Very high136 Ų13644 Ų4459%0.59121%0.207SC*.THydrogen-bonded Turntrans65.824.4-177.2-45.8-63175-171.20113.7L294 D295 H296 Y300L294-K298 PolarHBondContact O-N 3.31Å; L294-K298 VanDerWaalsContact O-N 3.12Å; D295-K298 PolarHBondContact O-N 3.01Å; D295-K298 VanDerWaalsContact O-N 3.08Å; H296-K298 PolarHBondContact O-N 2.99Å; K298-Y300 VanDerWaalsContact C-N 3.32Å; K298-Y300 HydrophobicContact CB-CE2 4.26Å; K298-Y300 HydrophobicContact CD-CE1 4.36Å; K298-Y300 HydrophobicContact CD-CE2 4.21Å; K298-Y300 WeakPolarHBondContact CD-OH 3.39Å; K298-Y300 PolarHBondContact NZ-OH 2.89Å; K298-Y300 PolarHBondContact O-N 2.85Å
299L97Very high97.4Very high22 Ų2243.2 Ų43.212%0.11520%0.204CC..  trans-95.655.3176.8-61.6177.8000110.4P40 V41 L294 L297 D301 Y302 A303P40-L299 HydrophobicContact CG-CD1 3.91Å; P40-L299 HydrophobicContact CG-CD2 3.83Å; V41-L299 HydrophobicContact CG2-CD1 3.97Å; L294-L299 HydrophobicContact CB-CB 4.26Å; L294-L299 HydrophobicContact CD2-CB 4.19Å; L294-L299 HydrophobicContact CD2-CD1 3.8Å; L294-L299 PolarHBondContact O-N 2.82Å; L297-L299 HydrophobicContact CB-CD1 4.12Å; L297-L299 HydrophobicContact CB-CG 4.08Å; L297-L299 HydrophobicContact CD1-CD1 4.37Å; L297-L299 PolarHBondContact O-N 2.93Å; L299-D301 VanDerWaalsContact C-N 3.35Å; L299-D301 PolarHBondContact O-N 2.97Å; L299-Y302 HydrophobicContact CB-CD2 4.15Å; L299-Y302 HydrophobicContact CD2-CD2 4.5Å; L299-Y302 PolarHBondContact O-N 3.3Å; L299-A303 PolarHBondContact O-N 3.42Å
300Y97.2Very high97.4Very high109 Ų10943.3 Ų43.343%0.42720%0.204SC..Hα-helixtrans-62.4-36.9-168.6-55.3-60.4000113.7D295 K298 A303 N304D295-Y300 HydrophobicContact CB-CD1 4.4Å; D295-Y300 HydrophobicContact CB-CE1 4.39Å; D295-Y300 WeakPolarHBondContact O-CE1 2.86Å; K298-Y300 VanDerWaalsContact C-N 3.32Å; K298-Y300 HydrophobicContact CB-CE2 4.26Å; K298-Y300 HydrophobicContact CD-CE1 4.36Å; K298-Y300 HydrophobicContact CD-CE2 4.21Å; K298-Y300 WeakPolarHBondContact CD-OH 3.39Å; K298-Y300 PolarHBondContact NZ-OH 2.89Å; K298-Y300 PolarHBondContact O-N 2.85Å; Y300-A303 WeakPolarHBondContact O-CB 3.22Å; Y300-A303 PolarHBondContact O-N 3Å; Y300-N304 WeakPolarHBondContact O-CB 3.41Å; Y300-N304 VanDerWaalsContact O-CG 3.24Å; Y300-N304 PolarHBondContact O-N 2.67Å; Y300-N304 PolarHBondContact O-ND2 3.47Å
301D96.4Very high97.2Very high133 Ų13345.2 Ų45.271%0.71121%0.214SC*.Hα-helixtrans-64-45.2-179.4-60.5-38.3000111.3L299 N304 L305L299-D301 VanDerWaalsContact C-N 3.35Å; L299-D301 PolarHBondContact O-N 2.97Å; D301-N304 PolarHBondContact O-N 2.57Å; D301-L305 VanDerWaalsContact O-CB 3.29Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 PolarHBondContact O-N 2.92Å
302Y97.3Very high97.1Very high75 Ų7547.4 Ų47.429%0.29423%0.228SC..Hα-helixtrans-65.2-41.3174.7-63.4-79.4000111.9S37 V39 P40 L299 N304 L305 I306S37-Y302 WeakPolarHBondContact O-CE1 3.41Å; V39-Y302 HydrophobicContact CB-CD1 4.41Å; V39-Y302 HydrophobicContact CG2-CD1 3.85Å; V39-Y302 HydrophobicContact CG2-CG 4.28Å; P40-Y302 HydrophobicContact CG-CE2 4.05Å; L299-Y302 HydrophobicContact CB-CD2 4.15Å; L299-Y302 HydrophobicContact CD2-CD2 4.5Å; L299-Y302 PolarHBondContact O-N 3.3Å; Y302-N304 VanDerWaalsContact C-N 3.34Å; Y302-N304 PolarHBondContact O-N 3.46Å; Y302-L305 PolarHBondContact O-N 2.89Å; Y302-I306 WeakPolarHBondContact O-CG1 3.39Å; Y302-I306 PolarHBondContact O-N 3.35Å
303A97.6Very high97Very high0 Ų046.2 Ų46.20%022%0.222CC..Hα-helixtrans-60.1-45.5176.800000111.3L294 D295 L299 Y300 R307L294-A303 HydrophobicContact CB-CB 3.65Å; L294-A303 HydrophobicContact CD1-CB 4.46Å; D295-A303 WeakPolarHBondContact OD1-CB 3.23Å; L299-A303 PolarHBondContact O-N 3.42Å; Y300-A303 WeakPolarHBondContact O-CB 3.22Å; Y300-A303 PolarHBondContact O-N 3Å; A303-R307 WeakPolarHBondContact O-CB 3.47Å; A303-R307 PolarHBondContact O-N 2.9Å
304N97.2Very high96.8Very high69 Ų6946.5 Ų46.537%0.36922%0.223SC..Hα-helixtrans-68.6-42.2178.8-73.1-30.2000111.8Y300 D301 Y302 N308Y300-N304 WeakPolarHBondContact O-CB 3.41Å; Y300-N304 VanDerWaalsContact O-CG 3.24Å; Y300-N304 PolarHBondContact O-N 2.67Å; Y300-N304 PolarHBondContact O-ND2 3.47Å; D301-N304 PolarHBondContact O-N 2.57Å; Y302-N304 VanDerWaalsContact C-N 3.34Å; Y302-N304 PolarHBondContact O-N 3.46Å; N304-N308 WeakPolarHBondContact O-CB 3.08Å; N304-N308 PolarHBondContact O-N 3.46Å; N304-N308 PolarHBondContact O-ND2 2.89Å; N304-N308 VanDerWaalsContact O-ND2 3.11Å
305L97.1Very high96.6Very high54 Ų5450.6 Ų50.628%0.28325%0.245SC..Hα-helixtrans-56.2-54176.9178.664.9000111.3D301 Y302 A309 I341D301-L305 VanDerWaalsContact O-CB 3.29Å; D301-L305 WeakPolarHBondContact O-CB 3.38Å; D301-L305 PolarHBondContact O-N 2.92Å; Y302-L305 PolarHBondContact O-N 2.89Å; L305-A309 WeakPolarHBondContact O-CB 3.29Å; L305-A309 PolarHBondContact O-N 3.5Å; L305-A309 VanDerWaalsContact O-N 3.13Å; L305-I341 HydrophobicContact CD1-CG2 4.24Å; L305-I341 HydrophobicContact CD2-CG2 3.99Å; L305-I341 HydrophobicContact CG-CG1 4.35Å; L305-I341 HydrophobicContact CG-CG2 4.14Å
306I97.9Very high96.4Very high0 Ų051.7 Ų51.70%025%0.25CC..Hα-helixtrans-68.8-46.2-177.8-62.3170.6000110.5V33 F34 V39 L294 Y302 N308 A309 V310 I341V33-I306 HydrophobicContact CG1-CD1 4.2Å; V33-I306 HydrophobicContact CG1-CG1 4.23Å; V33-I306 HydrophobicContact CG1-CG2 4.13Å; F34-I306 HydrophobicContact CD1-CD1 4.01Å; F34-I306 HydrophobicContact CE1-CD1 3.86Å; V39-I306 HydrophobicContact CG2-CD1 4.12Å; L294-I306 HydrophobicContact CD1-CD1 3.98Å; Y302-I306 WeakPolarHBondContact O-CG1 3.39Å; Y302-I306 PolarHBondContact O-N 3.35Å; I306-N308 PolarHBondContact O-N 3.11Å; I306-A309 WeakPolarHBondContact O-CB 3.5Å; I306-A309 PolarHBondContact O-N 2.78Å; I306-A309 VanDerWaalsContact O-N 3.14Å; I306-V310 HydrophobicContact CG2-CG2 4.37Å; I306-V310 WeakPolarHBondContact O-CG2 3.28Å; I306-V310 PolarHBondContact O-N 3.17Å; I306-I341 HydrophobicContact CG1-CD1 4.13Å
307R97.4Very high96.1Very high68 Ų6852.7 Ų52.726%0.25726%0.261SS..Hα-helixtrans-58.5-47.2179.7-175.3-175.7-47.2174.98111.9L288 C291 D295 A303 A309 V310 L311L288-R307 HydrophobicContact CD2-CG 4Å; C291-R307 HydrophobicContact CB-CB 4.35Å; D295-R307 VanDerWaalsContact CG-NH2 3.25Å; D295-R307 IonicContact OD1-NH2 3.6Å; D295-R307 PolarHBondContact OD1-NH2 3.14Å; D295-R307 IonicContact OD2-CZ 3.76Å; D295-R307 IonicContact OD2-NH1 2.9Å; D295-R307 IonicContact OD2-NH2 3.97Å; D295-R307 PolarHBondContact OD2-NH2 3.42Å; A303-R307 WeakPolarHBondContact O-CB 3.47Å; A303-R307 PolarHBondContact O-N 2.9Å; R307-A309 VanDerWaalsContact C-N 3.28Å; R307-A309 PolarHBondContact O-N 2.76Å; R307-V310 PolarHBondContact O-N 3.07Å; R307-L311 HydrophobicContact CG-CD1 4.21Å; R307-L311 VanDerWaalsContact O-CG 3.3Å; R307-L311 WeakPolarHBondContact O-CG 3.44Å; R307-L311 PolarHBondContact O-N 2.65Å
308N96.6Very high96Very high84 Ų8459.8 Ų59.845%0.44929%0.287SS..Hα-helixtrans-64.4-35.7178.6-71.5-24.8000111.8N304 I306 T312N304-N308 WeakPolarHBondContact O-CB 3.08Å; N304-N308 PolarHBondContact O-N 3.46Å; N304-N308 PolarHBondContact O-ND2 2.89Å; N304-N308 VanDerWaalsContact O-ND2 3.11Å; I306-N308 PolarHBondContact O-N 3.11Å; N308-T312 VanDerWaalsContact O-CB 3.3Å; N308-T312 WeakPolarHBondContact O-CB 3.29Å; N308-T312 PolarHBondContact O-N 2.8Å; N308-T312 PolarHBondContact O-OG1 3.39Å
309A97.1Very high95.9Very high2 Ų253.9 Ų53.92%0.01726%0.261CS..Hα-helixtrans-64.7-47.3174.400000111.9L305 I306 R307 L311 T312 T313 V337 V340 I341L305-A309 WeakPolarHBondContact O-CB 3.29Å; L305-A309 PolarHBondContact O-N 3.5Å; L305-A309 VanDerWaalsContact O-N 3.13Å; I306-A309 WeakPolarHBondContact O-CB 3.5Å; I306-A309 PolarHBondContact O-N 2.78Å; I306-A309 VanDerWaalsContact O-N 3.14Å; R307-A309 VanDerWaalsContact C-N 3.28Å; R307-A309 PolarHBondContact O-N 2.76Å; A309-L311 PolarHBondContact O-N 3.36Å; A309-T312 PolarHBondContact O-N 2.93Å; A309-T313 PolarHBondContact O-N 2.88Å; A309-T313 PolarHBondContact O-OG1 2.55Å; A309-T313 VanDerWaalsContact O-OG1 3.13Å; A309-V337 HydrophobicContact CB-CG1 3.94Å; A309-V340 HydrophobicContact CB-CB 4.03Å; A309-V340 HydrophobicContact CB-CG1 3.86Å; A309-I341 HydrophobicContact CB-CD1 4.16Å; A309-I341 HydrophobicContact CB-CG1 3.51Å
310V96.9Very high95.9Very high2 Ų253.6 Ų53.61%0.01226%0.259CS..Hα-helixtrans-56.7-50.7174.6175.90000111.2T284 L287 L288 I306 R307 T312 T313 M314 V337T284-V310 HydrophobicContact CG2-CG1 3.84Å; L287-V310 HydrophobicContact CB-CG2 3.92Å; L287-V310 HydrophobicContact CD1-CG2 3.95Å; L288-V310 HydrophobicContact CD2-CG1 4.24Å; L288-V310 HydrophobicContact CG-CG1 4.33Å; I306-V310 HydrophobicContact CG2-CG2 4.37Å; I306-V310 WeakPolarHBondContact O-CG2 3.28Å; I306-V310 PolarHBondContact O-N 3.17Å; R307-V310 PolarHBondContact O-N 3.07Å; V310-T312 VanDerWaalsContact C-N 3.29Å; V310-T312 PolarHBondContact O-N 3.38Å; V310-T313 PolarHBondContact O-N 3.27Å; V310-M314 WeakPolarHBondContact O-CG 3.4Å; V310-M314 PolarHBondContact O-N 3.27Å; V310-V337 HydrophobicContact CG2-CG1 4.19Å; V310-V337 HydrophobicContact CG2-CG2 4.05Å
311L95.3Very high95.8Very high39 Ų3948.5 Ų48.520%0.20424%0.24CC..Hα-helixtrans-62.8-35.8179.2-65.3179000112.6L109 R307 A309 N315L109-L311 HydrophobicContact CD2-CD2 3.68Å; R307-L311 HydrophobicContact CG-CD1 4.21Å; R307-L311 VanDerWaalsContact O-CG 3.3Å; R307-L311 WeakPolarHBondContact O-CG 3.44Å; R307-L311 PolarHBondContact O-N 2.65Å; A309-L311 PolarHBondContact O-N 3.36Å; L311-N315 PolarHBondContact O-ND2 2.83Å
312T95.6Very high95.7Very high48 Ų4845 Ų4529%0.29423%0.229SC..Hα-helixtrans-65.8-46.2175-57.70000110.5N308 A309 V310 M314 N315 V340 K344N308-T312 VanDerWaalsContact O-CB 3.3Å; N308-T312 WeakPolarHBondContact O-CB 3.29Å; N308-T312 PolarHBondContact O-N 2.8Å; N308-T312 PolarHBondContact O-OG1 3.39Å; A309-T312 PolarHBondContact O-N 2.93Å; V310-T312 VanDerWaalsContact C-N 3.29Å; V310-T312 PolarHBondContact O-N 3.38Å; T312-M314 VanDerWaalsContact C-N 3.3Å; T312-M314 PolarHBondContact O-N 3.37Å; T312-N315 WeakPolarHBondContact O-CB 3.34Å; T312-N315 PolarHBondContact O-N 2.86Å; T312-V340 HydrophobicContact CG2-CG1 4.08Å; T312-V340 HydrophobicContact CG2-CG2 4.18Å; T312-K344 PolarHBondContact OG1-NZ 3.11Å
313T95.6Very high95.6Very high3 Ų345 Ų452%0.01823%0.234CC..Hα-helixtrans-61-37.8177.7-64.80000111.9A309 V310 N315 E316 L319 V333 S336 V337A309-T313 PolarHBondContact O-N 2.88Å; A309-T313 PolarHBondContact O-OG1 2.55Å; A309-T313 VanDerWaalsContact O-OG1 3.13Å; V310-T313 PolarHBondContact O-N 3.27Å; T313-N315 PolarHBondContact O-N 3.44Å; T313-E316 WeakPolarHBondContact O-CB 3.42Å; T313-E316 PolarHBondContact O-N 3.05Å; T313-L319 HydrophobicContact CG2-CD1 3.74Å; T313-V333 HydrophobicContact CG2-CG1 4.1Å; T313-S336 PolarHBondContact OG1-OG 3.09Å; T313-V337 HydrophobicContact CG2-CG2 4.23Å; T313-V337 PolarHBondContact OG1-N 3.28Å
314M94.3Very high95.4Very high6 Ų646.8 Ų46.83%0.0324%0.244CC..Hα-helixtrans-64.7-19.1177.9-71.4-49-56.300114.6V112 L251 T284 V310 T312 E316 H320 L324V112-M314 HydrophobicContact CG2-CE 3.78Å; L251-M314 HydrophobicContact CD2-CE 4.15Å; T284-M314 HydrophobicContact CG2-CG 4.36Å; T284-M314 HydrophobicContact CG2-SD 4.42Å; T284-M314 PolarHBondContact OG1-SD 3.27Å; T284-M314 VanDerWaalsContact OG1-SD 3.4Å; V310-M314 WeakPolarHBondContact O-CG 3.4Å; V310-M314 PolarHBondContact O-N 3.27Å; T312-M314 VanDerWaalsContact C-N 3.3Å; T312-M314 PolarHBondContact O-N 3.37Å; M314-E316 PolarHBondContact O-N 3.26Å; M314-H320 PolarHBondContact O-NE2 2.86Å; M314-L324 HydrophobicContact CE-CD1 3.37Å
315N94.2Very high95.2Very high86 Ų8647 Ų4746%0.4626%0.262SS..THydrogen-bonded Turntrans-73.1-16.6172.6-69.4-40000113.3P110 G111 L311 T312 T313 T317P110-N315 WeakPolarHBondContact CB-OD1 3.37Å; P110-N315 WeakPolarHBondContact CG-OD1 3.32Å; P110-N315 PolarHBondContact O-OD1 2.93Å; G111-N315 PolarHBondContact N-OD1 3.34Å; L311-N315 PolarHBondContact O-ND2 2.83Å; T312-N315 WeakPolarHBondContact O-CB 3.34Å; T312-N315 PolarHBondContact O-N 2.86Å; T313-N315 PolarHBondContact O-N 3.44Å; N315-T317 PolarHBondContact O-N 3.21Å
316E93.3Very high95.1Very high55 Ų5545.4 Ų45.426%0.25726%0.259SS..  trans-91.591.6-178.6-172.9163.3-113.100110.2T313 M314 R318 L319T313-E316 WeakPolarHBondContact O-CB 3.42Å; T313-E316 PolarHBondContact O-N 3.05Å; M314-E316 PolarHBondContact O-N 3.26Å; E316-R318 HydrophobicContact CG-CG 4.08Å; E316-R318 PolarHBondContact O-N 3.4Å; E316-R318 IonicContact OE1-CZ 2.63Å; E316-R318 IonicContact OE1-NE 3.82Å; E316-R318 IonicContact OE1-NH1 2.73Å; E316-R318 PolarHBondContact OE1-NH1 3.03Å; E316-R318 IonicContact OE1-NH2 3.43Å; E316-R318 PolarHBondContact OE1-NH2 3.47Å; E316-R318 IonicContact OE2-CZ 3.25Å; E316-R318 IonicContact OE2-NH1 2.98Å; E316-R318 PolarHBondContact OE2-NH1 3.37Å; E316-L319 HydrophobicContact CB-CD1 4.3Å; E316-L319 HydrophobicContact CB-CG 4.49Å; E316-L319 HydrophobicContact CG-CD1 4.21Å; E316-L319 HydrophobicContact CG-CG 4.14Å; E316-L319 WeakPolarHBondContact O-CB 3.31Å; E316-L319 PolarHBondContact O-N 3.07Å; E316-L319 WeakPolarHBondContact OE2-CD1 3.25Å; E316-L319 WeakPolarHBondContact OE2-CG 3.36Å
317T91.5Very high95Very high98 Ų9854.4 Ų54.460%0.60130%0.301SS*.G310 helixtrans-55.9-26-174.154.30000114.4N315 L319 H320N315-T317 PolarHBondContact O-N 3.21Å; T317-L319 PolarHBondContact O-N 2.95Å; T317-H320 WeakPolarHBondContact O-CB 3.31Å; T317-H320 PolarHBondContact O-N 3.43Å
318R93.4Very high94.8Very high166 Ų16651.3 Ų51.363%0.62629%0.29SS*.G310 helixtrans-62.8-26.2175.298.3175.683.292.71.9113E316E316-R318 HydrophobicContact CG-CG 4.08Å; E316-R318 PolarHBondContact O-N 3.4Å; E316-R318 IonicContact OE1-CZ 2.63Å; E316-R318 IonicContact OE1-NE 3.82Å; E316-R318 IonicContact OE1-NH1 2.73Å; E316-R318 PolarHBondContact OE1-NH1 3.03Å; E316-R318 IonicContact OE1-NH2 3.43Å; E316-R318 PolarHBondContact OE1-NH2 3.47Å; E316-R318 IonicContact OE2-CZ 3.25Å; E316-R318 IonicContact OE2-NH1 2.98Å; E316-R318 PolarHBondContact OE2-NH1 3.37Å
319L94.8Very high94.9Very high12 Ų1249 Ų496%0.06328%0.279CS..G310 helixtrans-92.7-0.4-179.5-65.6-179.1000113T313 E316 T317 T321 E332 V333 S336T313-L319 HydrophobicContact CG2-CD1 3.74Å; E316-L319 HydrophobicContact CB-CD1 4.3Å; E316-L319 HydrophobicContact CB-CG 4.49Å; E316-L319 HydrophobicContact CG-CD1 4.21Å; E316-L319 HydrophobicContact CG-CG 4.14Å; E316-L319 WeakPolarHBondContact O-CB 3.31Å; E316-L319 PolarHBondContact O-N 3.07Å; E316-L319 WeakPolarHBondContact OE2-CD1 3.25Å; E316-L319 WeakPolarHBondContact OE2-CG 3.36Å; T317-L319 PolarHBondContact O-N 2.95Å; L319-T321 PolarHBondContact O-N 3.22Å; L319-E332 HydrophobicContact CD2-CB 4.06Å; L319-V333 HydrophobicContact CB-CG2 4.43Å; L319-V333 WeakPolarHBondContact O-CG2 3.44Å; L319-S336 WeakPolarHBondContact CD1-OG 3.27Å
320H96.5Very high94.9Very high16 Ų1649 Ų497%0.07428%0.278CS..  trans-61.1131.1176.4-74.1-173.1000110G111 M314 T317 L324 G326 Q327 G328G111-H320 PolarHBondContact O-CE1 2.54Å; M314-H320 PolarHBondContact O-NE2 2.86Å; T317-H320 WeakPolarHBondContact O-CB 3.31Å; T317-H320 PolarHBondContact O-N 3.43Å; H320-L324 HydrophobicContact CB-CB 4.1Å; H320-L324 HydrophobicContact CB-CD1 4.36Å; H320-G326 CarbonylContact O-C 3.18Å; H320-G326 WeakPolarHBondContact O-CA 3.27Å; H320-Q327 PolarHBondContact O-N 3.15Å; H320-Q327 VanDerWaalsContact O-N 3.11Å; H320-G328 PolarHBondContact O-N 3.22Å
321T96.3Very high94.9Very high2 Ų250.5 Ų50.51%0.01229%0.289CS..  trans-74.6168.4175.743.20000111.1N282 L319 D323 L324 G326 G328 V333N282-T321 WeakPolarHBondContact CB-OG1 3.32Å; N282-T321 VanDerWaalsContact CG-OG1 3.28Å; N282-T321 PolarHBondContact ND2-OG1 3.04Å; L319-T321 PolarHBondContact O-N 3.22Å; T321-D323 WeakPolarHBondContact CB-OD1 3.47Å; T321-D323 PolarHBondContact O-N 2.84Å; T321-D323 PolarHBondContact OG1-OD1 3.08Å; T321-L324 PolarHBondContact O-N 2.9Å; T321-G326 PolarHBondContact O-N 2.91Å; T321-G328 WeakPolarHBondContact CA-O 3.4Å; T321-G328 WeakPolarHBondContact CG2-O 3.5Å; T321-V333 HydrophobicContact CG2-CG2 3.98Å
322A94.6Very high95.1Very high60 Ų6052.6 Ų52.650%0.49630%0.298SS..G310 helixtrans-58.8-30.6-172.700000114.2L324 G325A322-L324 PolarHBondContact O-N 2.85Å; A322-G325 PolarHBondContact O-N 3.28Å
323D94.2Very high95.2Very high74 Ų7450.5 Ų50.540%0.39629%0.285SS..G310 helixtrans-63.5-23.8175.861.9-50000113.5N282 T321N282-D323 WeakPolarHBondContact CB-OD1 3.26Å; N282-D323 WeakPolarHBondContact CB-OD2 3.44Å; N282-D323 PolarHBondContact ND2-OD1 2.99Å; N282-D323 PolarHBondContact ND2-OD2 3.44Å; T321-D323 WeakPolarHBondContact CB-OD1 3.47Å; T321-D323 PolarHBondContact O-N 2.84Å; T321-D323 PolarHBondContact OG1-OD1 3.08Å
324L94.4Very high95.3Very high39 Ų3950.3 Ų50.320%0.20428%0.284CS..G310 helixtrans-99.15.1175.8-54.5179000112.6V112 L251 M314 H320 T321 A322V112-L324 HydrophobicContact CG1-CD2 4.19Å; V112-L324 HydrophobicContact CG2-CD1 4.34Å; L251-L324 HydrophobicContact CD1-CD2 3.85Å; L251-L324 HydrophobicContact CD2-CD1 4.18Å; L251-L324 HydrophobicContact CD2-CD2 4.31Å; L251-L324 HydrophobicContact CG-CD2 4.19Å; M314-L324 HydrophobicContact CE-CD1 3.37Å; H320-L324 HydrophobicContact CB-CB 4.1Å; H320-L324 HydrophobicContact CB-CD1 4.36Å; T321-L324 PolarHBondContact O-N 2.9Å; A322-L324 PolarHBondContact O-N 2.85Å
325G93.3Very high95.4Very high73 Ų7355 Ų5575%0.75331%0.306SS*.THydrogen-bonded Turntrans82.410.2-177.400000115A322A322-G325 PolarHBondContact O-N 3.28Å
326G94Very high95.6Very high20 Ų2051.1 Ų51.121%0.20629%0.285CS..  trans-93.4-172.6175.600000113.6H320 T321H320-G326 CarbonylContact O-C 3.18Å; H320-G326 WeakPolarHBondContact O-CA 3.27Å; T321-G326 PolarHBondContact O-N 2.91Å
327Q94.9Very high95.8Very high189 Ų18948.5 Ų48.588%0.88327%0.273SS*.  trans-120.93.4-178.2-62.7-178.56.400113.1H320H320-Q327 PolarHBondContact O-N 3.15Å; H320-Q327 VanDerWaalsContact O-N 3.11Å
328G95.2Very high96Very high3 Ų344.9 Ų44.93%0.03125%0.25CC..  trans-67.7145.6178.600000112.1H320 T321H320-G328 PolarHBondContact O-N 3.22Å; T321-G328 WeakPolarHBondContact CA-O 3.4Å; T321-G328 WeakPolarHBondContact CG2-O 3.5Å
329T97.6Very high96.2Very high37 Ų3743 Ų4323%0.22724%0.243CC..  trans-91.6160.1174.9620000111.7N279 S331 E332 V333N279-T329 CarbonylContact O-C 3.58Å; N279-T329 VanDerWaalsContact O-CA 3.28Å; N279-T329 WeakPolarHBondContact O-CA 3.43Å; N279-T329 WeakPolarHBondContact O-CB 3.15Å; T329-S331 PolarHBondContact O-N 2.73Å; T329-E332 WeakPolarHBondContact CB-OE2 3.4Å; T329-E332 PolarHBondContact N-OE2 2.8Å; T329-E332 PolarHBondContact O-N 2.91Å; T329-E332 WeakPolarHBondContact OG1-CB 3.43Å; T329-E332 VanDerWaalsContact OG1-CD 3.25Å; T329-E332 WeakPolarHBondContact OG1-CG 3.34Å; T329-E332 PolarHBondContact OG1-N 3.06Å; T329-E332 PolarHBondContact OG1-OE2 3.02Å; T329-V333 WeakPolarHBondContact O-CG2 3.29Å; T329-V333 PolarHBondContact O-N 2.9Å; T329-V333 VanDerWaalsContact O-N 3.16Å
330T97.6Very high96.2Very high0 Ų043.4 Ų43.40%025%0.246CC..Hα-helixtrans-53.8-46175.3-48.10000110.8L26 N279 I280 A281 P283 V333 V334L26-T330 HydrophobicContact CD2-CG2 3.88Å; N279-T330 PolarHBondContact O-N 3.25Å; N279-T330 PolarHBondContact O-OG1 3.42Å; N279-T330 WeakPolarHBondContact OD1-CB 3.26Å; I280-T330 PolarHBondContact N-OG1 3.29Å; A281-T330 PolarHBondContact N-OG1 3.21Å; A281-T330 WeakPolarHBondContact O-CB 3.36Å; A281-T330 VanDerWaalsContact O-CG2 3.31Å; A281-T330 WeakPolarHBondContact O-CG2 3.32Å; A281-T330 PolarHBondContact O-OG1 3.35Å; P283-T330 HydrophobicContact CB-CG2 4.12Å; P283-T330 HydrophobicContact CG-CG2 4.19Å; T330-V333 PolarHBondContact O-N 3.06Å; T330-V334 VanDerWaalsContact O-CG2 3.3Å; T330-V334 WeakPolarHBondContact O-CG2 3.13Å; T330-V334 PolarHBondContact O-N 3.15Å
331S97.4Very high96.2Very high34 Ų3443.1 Ų43.124%0.23824%0.244CC..Hα-helixtrans-63.1-42.6179.7-63.40000112.9N279 T329 V333 V334 Q335N279-S331 PolarHBondContact ND2-OG 2.8Å; N279-S331 WeakPolarHBondContact OD1-CB 3.12Å; N279-S331 PolarHBondContact OD1-N 2.77Å; N279-S331 PolarHBondContact OD1-OG 2.94Å; T329-S331 PolarHBondContact O-N 2.73Å; S331-V333 VanDerWaalsContact C-N 3.34Å; S331-V333 PolarHBondContact O-N 2.85Å; S331-V334 PolarHBondContact O-N 3.06Å; S331-Q335 WeakPolarHBondContact O-CB 3.36Å; S331-Q335 VanDerWaalsContact O-CG 3.23Å; S331-Q335 WeakPolarHBondContact O-CG 3.37Å; S331-Q335 PolarHBondContact O-N 3.46Å
332E97.6Very high96Very high83 Ų8349.3 Ų49.339%0.38827%0.273SS..Hα-helixtrans-64.3-39.5178.7-75.1165.4138.800112.1L319 T329 S336L319-E332 HydrophobicContact CD2-CB 4.06Å; T329-E332 WeakPolarHBondContact CB-OE2 3.4Å; T329-E332 PolarHBondContact N-OE2 2.8Å; T329-E332 PolarHBondContact O-N 2.91Å; T329-E332 WeakPolarHBondContact OG1-CB 3.43Å; T329-E332 VanDerWaalsContact OG1-CD 3.25Å; T329-E332 WeakPolarHBondContact OG1-CG 3.34Å; T329-E332 PolarHBondContact OG1-N 3.06Å; T329-E332 PolarHBondContact OG1-OE2 3.02Å; E332-S336 WeakPolarHBondContact O-CB 3.1Å; E332-S336 PolarHBondContact O-N 3.48Å
333V97.7Very high95.7Very high4 Ų450.9 Ų50.92%0.02428%0.281CS..Hα-helixtrans-61-50.5173.9176.40000110P283 T313 L319 T321 T329 T330 S331 Q335 S336 V337P283-V333 HydrophobicContact CG-CB 3.97Å; P283-V333 HydrophobicContact CG-CG1 3.61Å; T313-V333 HydrophobicContact CG2-CG1 4.1Å; L319-V333 HydrophobicContact CB-CG2 4.43Å; L319-V333 WeakPolarHBondContact O-CG2 3.44Å; T321-V333 HydrophobicContact CG2-CG2 3.98Å; T329-V333 WeakPolarHBondContact O-CG2 3.29Å; T329-V333 PolarHBondContact O-N 2.9Å; T329-V333 VanDerWaalsContact O-N 3.16Å; T330-V333 PolarHBondContact O-N 3.06Å; S331-V333 VanDerWaalsContact C-N 3.34Å; S331-V333 PolarHBondContact O-N 2.85Å; V333-Q335 PolarHBondContact O-N 3.45Å; V333-S336 WeakPolarHBondContact O-CB 3.34Å; V333-S336 PolarHBondContact O-N 3.42Å; V333-S336 VanDerWaalsContact O-N 3.15Å; V333-V337 WeakPolarHBondContact O-CG2 3.08Å; V333-V337 PolarHBondContact O-N 3.15Å
334V97.9Very high94.8Very high0 Ų053.5 Ų53.50%029%0.289CS..Hα-helixtrans-62.4-43-179.11730000111.6H29 V33 P283 T330 S331 S336 V337 M338H29-V334 HydrophobicContact CB-CG1 4.18Å; H29-V334 HydrophobicContact CB-CG2 3.74Å; V33-V334 HydrophobicContact CG2-CG1 3.83Å; P283-V334 HydrophobicContact CB-CG2 4.12Å; P283-V334 HydrophobicContact CG-CG2 4.04Å; T330-V334 VanDerWaalsContact O-CG2 3.3Å; T330-V334 WeakPolarHBondContact O-CG2 3.13Å; T330-V334 PolarHBondContact O-N 3.15Å; S331-V334 PolarHBondContact O-N 3.06Å; V334-S336 VanDerWaalsContact C-N 3.31Å; V334-S336 PolarHBondContact O-N 3.34Å; V334-V337 WeakPolarHBondContact O-CB 3.23Å; V334-V337 PolarHBondContact O-N 3.37Å; V334-M338 HydrophobicContact CG1-CE 4.18Å; V334-M338 PolarHBondContact O-N 3.15Å
335Q97.6Very high93.2Very high104 Ų10452.9 Ų52.949%0.48629%0.292SS..Hα-helixtrans-62.7-38.2174.8-73.8173.72.900112.1S331 V333 M338 R339S331-Q335 WeakPolarHBondContact O-CB 3.36Å; S331-Q335 VanDerWaalsContact O-CG 3.23Å; S331-Q335 WeakPolarHBondContact O-CG 3.37Å; S331-Q335 PolarHBondContact O-N 3.46Å; V333-Q335 PolarHBondContact O-N 3.45Å; Q335-M338 HydrophobicContact CG-CE 4.36Å; Q335-M338 PolarHBondContact O-N 2.7Å; Q335-R339 WeakPolarHBondContact O-CG 3.26Å; Q335-R339 PolarHBondContact O-N 3.48Å; Q335-R339 PolarHBondContact O-NE 3.2Å
336S97.3Very high91.2Very high4 Ų458.8 Ų58.83%0.02830%0.299CS..Hα-helixtrans-64.8-43.5174.2-173.70000111.7T313 L319 E332 V333 V334 M338 R339 V340T313-S336 PolarHBondContact OG1-OG 3.09Å; L319-S336 WeakPolarHBondContact CD1-OG 3.27Å; E332-S336 WeakPolarHBondContact O-CB 3.1Å; E332-S336 PolarHBondContact O-N 3.48Å; V333-S336 WeakPolarHBondContact O-CB 3.34Å; V333-S336 PolarHBondContact O-N 3.42Å; V333-S336 VanDerWaalsContact O-N 3.15Å; V334-S336 VanDerWaalsContact C-N 3.31Å; V334-S336 PolarHBondContact O-N 3.34Å; S336-M338 VanDerWaalsContact C-N 3.34Å; S336-M338 PolarHBondContact O-N 3.3Å; S336-R339 PolarHBondContact O-N 3.2Å; S336-V340 WeakPolarHBondContact O-CG2 3.46Å; S336-V340 PolarHBondContact O-N 3.13Å
337V97.4Very high88.8Confident0 Ų064.9 Ų64.90%033%0.327CS..Hα-helixtrans-56.5-48.4174.2171.60000110.6A309 V310 T313 V333 V334 R339 V340 I341A309-V337 HydrophobicContact CB-CG1 3.94Å; V310-V337 HydrophobicContact CG2-CG1 4.19Å; V310-V337 HydrophobicContact CG2-CG2 4.05Å; T313-V337 HydrophobicContact CG2-CG2 4.23Å; T313-V337 PolarHBondContact OG1-N 3.28Å; V333-V337 WeakPolarHBondContact O-CG2 3.08Å; V333-V337 PolarHBondContact O-N 3.15Å; V334-V337 WeakPolarHBondContact O-CB 3.23Å; V334-V337 PolarHBondContact O-N 3.37Å; V337-R339 PolarHBondContact O-N 3.08Å; V337-V340 PolarHBondContact O-N 2.87Å; V337-I341 HydrophobicContact CG1-CD1 4.04Å; V337-I341 WeakPolarHBondContact O-CG1 3.45Å; V337-I341 PolarHBondContact O-N 3.32Å
338M97.4Very high86.4Confident23 Ų2362.4 Ų62.411%0.11332%0.324CS..Hα-helixtrans-62.3-39.8177.5-68.3-171.2-65.700112.6E32 V33 F36 V334 Q335 S336 I341 Q342E32-M338 HydrophobicContact CG-CE 4.44Å; E32-M338 HydrophobicContact CG-SD 4.14Å; V33-M338 HydrophobicContact CG2-CG 4.16Å; F36-M338 HydrophobicContact CB-CG 4.4Å; F36-M338 HydrophobicContact CB-SD 3.93Å; F36-M338 HydrophobicContact CD1-CB 4Å; F36-M338 HydrophobicContact CD1-CG 3.97Å; F36-M338 HydrophobicContact CD1-SD 4.41Å; F36-M338 HydrophobicContact CD2-SD 4.14Å; F36-M338 HydrophobicContact CE1-CB 3.95Å; F36-M338 HydrophobicContact CE1-CG 4.44Å; F36-M338 VanDerWaalsContact CE1-O 3.29Å; F36-M338 WeakPolarHBondContact CE1-O 3.38Å; F36-M338 HydrophobicContact CG-CB 4.34Å; F36-M338 HydrophobicContact CG-CG 4.07Å; F36-M338 HydrophobicContact CG-SD 3.9Å; F36-M338 HydrophobicContact CZ-CB 4.26Å; V334-M338 HydrophobicContact CG1-CE 4.18Å; V334-M338 PolarHBondContact O-N 3.15Å; Q335-M338 HydrophobicContact CG-CE 4.36Å; Q335-M338 PolarHBondContact O-N 2.7Å; S336-M338 VanDerWaalsContact C-N 3.34Å; S336-M338 PolarHBondContact O-N 3.3Å; M338-I341 PolarHBondContact O-N 3.42Å; M338-Q342 PolarHBondContact O-N 3.04Å
339R96.6Very high83.4Confident127 Ų12765.9 Ų65.948%0.47935%0.353SS..Hα-helixtrans-62.7-41.1174.2-76.9-178.8-76.6136.1-8112.6Q335 S336 V337 I341 Q342 S343Q335-R339 WeakPolarHBondContact O-CG 3.26Å; Q335-R339 PolarHBondContact O-N 3.48Å; Q335-R339 PolarHBondContact O-NE 3.2Å; S336-R339 PolarHBondContact O-N 3.2Å; V337-R339 PolarHBondContact O-N 3.08Å; R339-I341 VanDerWaalsContact C-N 3.34Å; R339-Q342 PolarHBondContact O-N 2.85Å; R339-S343 PolarHBondContact O-N 3.31Å; R339-S343 PolarHBondContact O-OG 3.31Å; R339-S343 VanDerWaalsContact O-OG 3.06Å
340V95.8Very high80.3Confident20 Ų2071.5 Ų71.512%0.12138%0.382CS..Hα-helixtrans-64.9-39.9175.1176.30000110.9A309 T312 S336 V337 S343 K344A309-V340 HydrophobicContact CB-CB 4.03Å; A309-V340 HydrophobicContact CB-CG1 3.86Å; T312-V340 HydrophobicContact CG2-CG1 4.08Å; T312-V340 HydrophobicContact CG2-CG2 4.18Å; S336-V340 WeakPolarHBondContact O-CG2 3.46Å; S336-V340 PolarHBondContact O-N 3.13Å; V337-V340 PolarHBondContact O-N 2.87Å; V340-S343 WeakPolarHBondContact CA-OG 3.31Å; V340-S343 PolarHBondContact O-N 3.12Å; V340-S343 PolarHBondContact O-OG 3.19Å; V340-K344 HydrophobicContact CG1-CD 4.05Å; V340-K344 WeakPolarHBondContact O-CB 3.18Å; V340-K344 PolarHBondContact O-N 3.25Å; V340-K344 VanDerWaalsContact O-N 3.11Å
341I94.9Very high77.3Confident9 Ų982.7 Ų82.75%0.04644%0.439CS..Hα-helixtrans-62-44.5174.1-67.9171.8000110.7V33 F36 S37 L305 I306 A309 V337 M338 R339 S343 K344 G345V33-I341 HydrophobicContact CG1-CD1 4.14Å; F36-I341 HydrophobicContact CD1-CG2 4.22Å; F36-I341 HydrophobicContact CE1-CB 4.17Å; F36-I341 HydrophobicContact CE1-CG2 3.98Å; S37-I341 WeakPolarHBondContact OG-CD1 3.17Å; L305-I341 HydrophobicContact CD1-CG2 4.24Å; L305-I341 HydrophobicContact CD2-CG2 3.99Å; L305-I341 HydrophobicContact CG-CG1 4.35Å; L305-I341 HydrophobicContact CG-CG2 4.14Å; I306-I341 HydrophobicContact CG1-CD1 4.13Å; A309-I341 HydrophobicContact CB-CD1 4.16Å; A309-I341 HydrophobicContact CB-CG1 3.51Å; V337-I341 HydrophobicContact CG1-CD1 4.04Å; V337-I341 WeakPolarHBondContact O-CG1 3.45Å; V337-I341 PolarHBondContact O-N 3.32Å; M338-I341 PolarHBondContact O-N 3.42Å; R339-I341 VanDerWaalsContact C-N 3.34Å; I341-S343 PolarHBondContact O-N 2.92Å; I341-K344 PolarHBondContact O-N 2.73Å; I341-G345 WeakPolarHBondContact O-CA 3.32Å; I341-G345 PolarHBondContact O-N 2.83Å
342Q92.5Very high76.3Confident133 Ų13385.2 Ų85.262%0.62145%0.449SS*.Hα-helixtrans-63.4-42.1179.6-167.7177.39.900112.8F36 M338 R339F36-Q342 HydrophobicContact CE1-CB 4.42Å; F36-Q342 HydrophobicContact CZ-CB 4.06Å; F36-Q342 HydrophobicContact CZ-CG 4.5Å; M338-Q342 PolarHBondContact O-N 3.04Å; R339-Q342 PolarHBondContact O-N 2.85Å
343S88.6Confident75.1Confident93 Ų9385.3 Ų85.365%0.6545%0.452SS*.Hα-helixtrans-73.3-27.6-178.756.90000114.1R339 V340 I341R339-S343 PolarHBondContact O-N 3.31Å; R339-S343 PolarHBondContact O-OG 3.31Å; R339-S343 VanDerWaalsContact O-OG 3.06Å; V340-S343 WeakPolarHBondContact CA-OG 3.31Å; V340-S343 PolarHBondContact O-N 3.12Å; V340-S343 PolarHBondContact O-OG 3.19Å; I341-S343 PolarHBondContact O-N 2.92Å
344K75.6Confident73.9Confident129 Ų12989.8 Ų89.856%0.56148%0.476SS*.Hα-helixtrans-103.2-17.2-179.2-69.4-174.3176.8178.20114.1T312 V340 I341T312-K344 PolarHBondContact OG1-NZ 3.11Å; V340-K344 HydrophobicContact CG1-CD 4.05Å; V340-K344 WeakPolarHBondContact O-CB 3.18Å; V340-K344 PolarHBondContact O-N 3.25Å; V340-K344 VanDerWaalsContact O-N 3.11Å; I341-K344 PolarHBondContact O-N 2.73Å
345G59.9Low72.5Confident26 Ų2695.1 Ų95.127%0.26850%0.504SS..SBendtrans-58.6146.3170.700000108.8I341 L347I341-G345 WeakPolarHBondContact O-CA 3.32Å; I341-G345 PolarHBondContact O-N 2.83Å; G345-L347 PolarHBondContact O-N 2.72Å
346Q51.7Low70.9Confident196 Ų19694.5 Ų94.592%0.91651%0.505SS*.  trans-51.9112.3162.4-80.6175.5-20.200105.8T348Q346-T348 PolarHBondContact O-N 3.12Å
347L43.9Very low69.1Low149 Ų149100.5 Ų100.578%0.7854%0.537SS*.  trans-46.6118.2163.4-78.6148.6000104G345 A349G345-L347 PolarHBondContact O-N 2.72Å; L347-A349 HydrophobicContact CB-CB 3.98Å; L347-A349 PolarHBondContact O-N 3.48Å
348T44Very low67.1Low136 Ų136107.7 Ų107.783%0.83458%0.576SS**  trans-61.875.1155.644.80000105.4Q346 D350Q346-T348 PolarHBondContact O-N 3.12Å; T348-D350 VanDerWaalsContact C-N 3.25Å
349A32.9Very low64.8Low76 Ų76114.2 Ų114.263%0.62861%0.611SS**  trans-86.5-3.1-178.300000111.1L347L347-A349 HydrophobicContact CB-CB 3.98Å; L347-A349 PolarHBondContact O-N 3.48Å
350D32.8Very low62.1Low156 Ų156113.2 Ų113.283%0.83462%0.622SS**  trans-125.483178.4-61.4-41.1000110.2T348T348-D350 VanDerWaalsContact C-N 3.25Å
351I33.2Very low59.1Low235 Ų235121.6 Ų121.6100%1.20567%0.668SS**  trans-136.40141-58-175.8000107.7

Retrieved 351 of 351 residues in 292.1 ms (Link to these results)

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